Sugi Predict

Sugi Predict / Compounds / SCHEMBL343816

SCHEMBL343816

SCHEMBL343816

CC(C)(C)C(=O)Nc1ccc(Cl)cc1C(O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.44
▸ CYP3A5 P20815 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KCNMA1 Q12791 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ FFAR2 O15552 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL28413 0.86 KMT2A (0.44) CYP3A4ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL19857728 0.86 CYP3A4 (0.46) CYP3A4CYP3A5ALDH1A1GAAMEN1
SCHEMBL25409908 0.78 RAB9A (0.47) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10248576 0.77 SMN1; SMN2 (0.44) CYP3A4CYP3A5TSHRALDH1A1L3MBTL1
SCHEMBL2616499 0.76 CCR9 (0.55) ALDH1A1SMN1; SMN2
SCHEMBL9846978 0.76 TSHR (0.46) CYP3A4TSHRALDH1A1L3MBTL1GAA
SCHEMBL344824 0.74 CCR9 (0.60) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL4118333 0.74 LPAR1 (0.53) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2616509 0.74 CCR9 (0.56) —
SCHEMBL1642548 0.73 TSHR (0.46) CYP3A4TSHRALDH1A1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364240-B2 Aryl sulfonamides ChemoCentryx. Inc. (US) 2019-07-30 — — US disclosed
US-10364240-B2 Aryl sulfonamides ChemoCentryx. Inc. (US) 2019-07-30 — — US disclosed
US-9890148-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2018-02-13 — — US disclosed
US-9890148-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2018-02-13 — — US disclosed
US-20170369483-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2017-12-28 — — US disclosed
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 — — US disclosed
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 — — US disclosed
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 — — US disclosed
EP-1798223-B2 Aryl sulfonamides CHEMOCENTRYX INC (US) 2014-07-30 — — EP disclosed
EP-1798223-B2 Aryl sulfonamides CHEMOCENTRYX INC (US) 2014-07-30 — — EP 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
EP-1798223-A2 Aryl sulfonamides ChemoCentryx Inc (US) 2007-06-20 — — EP disclosed
US-20060111351-A1 Aryl sulfonamides CHEMOCENTRYX, INC. 2006-05-25 — — US disclosed
WO-2005112925-A1 ARYL SULFONAMIDES CHEMOCENTRYX (US) 2005-12-01 — — WO disclosed
US-6939885-B2 Aryl sulfonamides CHEMOCENTRYX (US) 2005-09-06 — — US disclosed
EP-1562940-A2 ARYL SULFONAMIDES ChemoCentryx Inc (US) 2005-08-17 — — EP disclosed
US-20050165067-A1 Aryl sulfonamides CHEMOCENTRYX 2005-07-28 — — US disclosed
US-20050137193-A1 Aryl sulfonamides CHEMOCENTREYX 2005-06-23 — — US disclosed
US-20040171654-A1 Aryl sulfonamides CHEMOCENTRYX, INC. 2004-09-02 — — US disclosed
WO-2004046092-A2 ARYL SULFONAMIDES CHEMOCENTRYX (US) 2004-06-03 — — WO 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 (7 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-20050137193-A1 Aryl sulfonamides CCR9, CCR1, CCR2 CYP3A4 1923/4885CYP3A5 1102/4885TSHR 1005/4885
US-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 CYP3A4 1923/4885CYP3A5 1102/4885TSHR 1005/4885
US-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 CYP3A4 1923/4885CYP3A5 1102/4885TSHR 1005/4885
US-20170369483-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CYP3A4 1923/4885CYP3A5 1102/4885TSHR 1005/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CYP3A4 1923/4885CYP3A5 1102/4885TSHR 1005/4885
US-20040171654-A1 Aryl sulfonamides CCR9, CCR1, CCR2 CYP3A4 1923/4885CYP3A5 1102/4885TSHR 1005/4885
US-20050165067-A1 Aryl sulfonamides CCR9, CCR1, CCR2 CYP3A4 1923/4885CYP3A5 1102/4885TSHR 1005/4885

“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.