SCHEMBL2625317

SCHEMBL2625317

CC(C)(C)c1cccc(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
GPR84 Q9NQS5 1/20 0.37
MAP2K1 Q02750 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
MMP12 P39900 2/20 0.36
MMP2 P08253 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DAO P14920 1/20 0.35
IDH1 O75874 1/20 0.34
RAB9A P51151 1/20 0.33
CA12 O43570 4/20 0.32
CA9 Q16790 4/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL2561675 0.77 NOTUM (0.34) NOTUMGPR84MAP2K1MMP1MMP9
SCHEMBL878505 0.76 KDM4E (0.42) NOTUMALDH1A1LMNAMMP1MMP12
SCHEMBL22487893 0.73 GPR84 (0.40) NOTUMGPR84MAP2K1MMP1MMP9
SCHEMBL7881863 0.73 NOTUM (0.38) NOTUMGPR84MAP2K1ALDH1A1LMNA
SCHEMBL24897298 0.70 CCR1 (0.34) NOTUMALDH1A1MMP1MMP9MMP12
SCHEMBL24518051 0.70 SMN1; SMN2 (0.39) NOTUMALDH1A1LMNAPOLBBLM
SCHEMBL15059436 0.70 GPR84 (0.38) NOTUMGPR84MMP1MMP9MMP12
SCHEMBL1791983 0.70 DAO (0.35) ALDH1A1LMNAPOLBMAPTBLM
SCHEMBL24518044 0.69 CA12 (0.33) RAB9ACA12CA9CA1CA6
SCHEMBL24518043 0.68 CCR1 (0.32) ALDH1A1LMNAMMP1MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11872225-B2 Pyruvate kinase modulators and use thereof AGIOS PHARMACEUTICALS, INC. (US) 2024-01-16 US disclosed
US-20230399299-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE AMYGDALA NEUROSCIENCES, INC. (US) 2023-12-14 US disclosed
EP-4289833-A1 TYK2 INHIBITOR COMPOUND CONTAINING BICYCLIC RING CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-12-13 EP disclosed
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 US disclosed
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 US disclosed
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. 2023-10-19 US disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230203000-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-06-29 US disclosed
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2007-07-12 US disclosed
US-20070161664-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2007-07-12 US disclosed
US-7241796-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INC. (US) 2007-07-10 US disclosed
US-7241796-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INC. (US) 2007-07-10 US disclosed
US-20070099897-A1 Therapeutic compounds PFIZER INC 2007-05-03 US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 US disclosed
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections VERTEX PHARMACEUTICALS INCORPORATED 2007-04-19 US disclosed
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections VERTEX PHARMACEUTICALS INCORPORATED 2007-04-19 US disclosed
WO-2005007681-A9 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE 2006-04-06 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 (11 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-11872225-B2 Pyruvate kinase modulators and use thereof PDK1, PDK2, PDK4 NOTUM 3952/4885GPR84 2299/4885MAP2K1 676/4885
US-20070099897-A1 Therapeutic compounds SLC5A2, SLC5A1, REN NOTUM 3384/4885GPR84 1835/4885MAP2K1 4512/4885
US-11827656-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 NOTUM 1121/4885GPR84 4658/4885MAP2K1 4348/4885
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR NOTUM 1460/4885GPR84 2040/4885MAP2K1 1866/4885
US-20230203000-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, RNASE1 NOTUM 1234/4885GPR84 4050/4885MAP2K1 2640/4885
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections PRSS1, CTRL, TMPRSS2 NOTUM 970/4885GPR84 4216/4885MAP2K1 3877/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF NOTUM 3135/4885GPR84 2674/4885MAP2K1 4192/4885
US-20070161664-A1 THERAPEUTIC COMPOUNDS SLC5A2, SLC5A1, REN NOTUM 3384/4885GPR84 1835/4885MAP2K1 4512/4885
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 NOTUM 1653/4885GPR84 3213/4885MAP2K1 3771/4885
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS LIPA, SGMS1, SGMS2 NOTUM 747/4885GPR84 4577/4885MAP2K1 4592/4885
US-20230399299-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE ALDH1A1, ALDH2, ALDH3A1 NOTUM 824/4885GPR84 2476/4885MAP2K1 3524/4885

“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.