SCHEMBL573679

SCHEMBL573679

CC(C)(C)n1ncc(C(=O)O)c1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TRPA1 O75762 1/20 0.43
▸ KEAP1 Q14145 6/20 0.41
▸ NFE2L2 Q16236 6/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ MC4R P32245 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ ASPH Q12797 1/20 0.37

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
SCHEMBL3296991 0.88 POLB (0.45) POLBMAPTSMN1; SMN2TRPA1KEAP1
SCHEMBL1406639 0.85 TRPA1 (0.42) POLBMAPTSMN1; SMN2TRPA1RAB9A
SCHEMBL1406963 0.84 POLB (0.49) POLBMAPTSMN1; SMN2TRPA1KEAP1
SCHEMBL10365011 0.82 TRPA1 (0.48) POLBMAPTSMN1; SMN2TRPA1KDM4E
SCHEMBL13608003 0.81 TRPA1 (0.47) POLBMAPTSMN1; SMN2TRPA1KDM4E
SCHEMBL574225 0.80 KDM4E (0.50) POLBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL1196081 0.79 POLB (0.57) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL2605846 0.79 TRPC3 (0.48) POLBMAPTSMN1; SMN2TRPA1RAB9A
SCHEMBL574333 0.77 KDM4E (0.44) POLBMAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL10366510 0.76 SPR (0.49) POLBTRPA1KDM4EALDH1A1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999114-B1 PYRAZOLES AS 11-BETA-HSD-1 HOFFMANN LA ROCHE (CH) 2015-07-22 — — EP claimed
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 — — EP claimed
US-7728029-B2 Adamantyl-pyrazole carboxamides as inhibitors of 11β-hdroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-06-01 — — US claimed
EP-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 — — EP claimed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 — — WO claimed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 — — US claimed
EP-3856179-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-05-13 — — EP disclosed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 — — US disclosed
EP-3856178-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-03-11 — — EP disclosed
US-20240327410-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2024-10-03 — — US disclosed
US-20240316017-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR LG CHEM, LTD. (KR) 2024-09-26 — — US disclosed
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 — — CN disclosed
US-20240300944-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR LG CHEM, LTD. (KR) 2024-09-12 — — US disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 — — US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 — — WO disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 — — WO disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 — — WO disclosed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 — — US disclosed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 — — US disclosed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 — — 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 (6 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-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase HSD3B2, HSD3B1, HSD17B2 POLB 1549/4885MAPT 4272/4885SMN1; SMN2 3959/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH POLB 1982/4885MAPT 3782/4885SMN1; SMN2 3345/4885
US-20240316017-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR RET, ROS1, MST1R POLB 4598/4885MAPT 4155/4885SMN1; SMN2 4287/4885
US-20240300944-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR CDKN1A, RET, UBTF POLB 3957/4885MAPT 2721/4885SMN1; SMN2 4350/4885
US-20240327410-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP POLB 2574/4885MAPT 2188/4885SMN1; SMN2 3714/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 POLB 1027/4885MAPT 1608/4885SMN1; SMN2 4182/4885

“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.

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