SCHEMBL2616418

SCHEMBL2616418

CC(C)(C)c1ccc(S(C)(=O)=O)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.43
POLB P06746 3/20 0.40
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PIK3CD O00329 1/20 0.37
PIP5K1C O60331 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
KIF11 P52732 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17752211 0.85 KIF11 (0.48) CCR9ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL24499303 0.85 ALDH1A1 (0.37) CCR9POLBALDH1A1CYP1A2CYP3A4
SCHEMBL24499822 0.85 ALDH1A1 (0.37) CCR9POLBALDH1A1CYP1A2CYP3A4
SCHEMBL24499830 0.85 ALDH1A1 (0.37) CCR9POLBALDH1A1CYP1A2CYP3A4
SCHEMBL18379317 0.82 CA1 (0.55) POLBALDH1A1CA1CA2CA9
SCHEMBL3126218 0.82 POLB (0.52) POLBALDH1A1GAAKIF11CNR1
SCHEMBL13335925 0.81 POLB (0.40) POLBALDH1A1CA1CA2CA9
SCHEMBL22854087 0.77 PPARD (0.41) POLBALDH1A1LOXL2HTT
SCHEMBL19449821 0.77 CCR6 (0.40) POLBALDH1A1CNR1CNR2LOXL2
SCHEMBL26107943 0.74 PI4KB (0.55) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-04-20 US disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20210395235-A1 COMPOUND AS TGF-beta R1 INHIBITOR AND APPLICATION THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2021-12-23 US disclosed
US-10954229-B2 GPR119 agonist compounds MANKIND PHARMA LTD. (IN) 2021-03-23 US disclosed
US-10927079-B2 Intermediate compound of novel tetrahydronaphthyl urea derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2021-02-23 US disclosed
WO-2020261294-A1 NOVEL APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS MANKIND PHARMA LTD. (IN) 2020-12-30 WO disclosed
US-20200317661-A1 NOVEL GPR119 AGONIST COMPOUNDS MANKIND PHARMA LTD. (IN) 2020-10-08 US disclosed
US-10752622-B2 GPR119 agonist compounds MANKIND PHARMA LTD. (IN) 2020-08-25 US disclosed
US-20200239419-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2020-07-30 US disclosed
US-10669239-B2 Tetrahydronaphthyl urea derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2020-06-02 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200239419-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVE CCNT2, UTS2R, DIMT1 CCR9 1952/4885POLB 1699/4885ALDH1A1 1467/4885
US-20210395235-A1 COMPOUND AS TGF-beta R1 INHIBITOR AND APPLICATION THEREOF TGFBR1, TGFB1, TGFBR2 CCR9 1165/4885POLB 3331/4885ALDH1A1 2482/4885
US-10927079-B2 Intermediate compound of novel tetrahydronaphthyl urea derivative CCNT2, DIMT1, QTRT2 CCR9 1926/4885POLB 1499/4885ALDH1A1 1526/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CCR9 2/4885POLB 4044/4885ALDH1A1 2834/4885
US-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS PCK1, SLC5A1, PFKFB1 CCR9 3484/4885POLB 3461/4885ALDH1A1 345/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 CCR9 12/4885POLB 4152/4885ALDH1A1 1867/4885
US-20200317661-A1 NOVEL GPR119 AGONIST COMPOUNDS GPR119, GPR84, GPR88 CCR9 416/4885POLB 4498/4885ALDH1A1 1629/4885
US-10752622-B2 GPR119 agonist compounds GPR119, GPR84, GPR65 CCR9 417/4885POLB 4313/4885ALDH1A1 1844/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885POLB 4636/4885ALDH1A1 1655/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 CCR9 13/4885POLB 4663/4885ALDH1A1 1258/4885
US-10669239-B2 Tetrahydronaphthyl urea derivative OPRL1, TRPV1, UTS2R CCR9 1815/4885POLB 3966/4885ALDH1A1 3746/4885
US-10954229-B2 GPR119 agonist compounds GPR119, GPR84, GPR65 CCR9 417/4885POLB 4313/4885ALDH1A1 1844/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.