SCHEMBL630490

SCHEMBL630490

COC(=O)c1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.66
CFTR P13569 2/20 0.51
CES2 O00748 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ATAD2 Q6PL18 1/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43

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
SCHEMBL475762 0.87 NOTUM (0.77) NOTUMCFTRCES2CA12CA1
SCHEMBL1999038 0.87 NOTUM (0.77) NOTUMCFTRCES2CA12CA1
SCHEMBL1530343 0.84 NOTUM (0.46) NOTUMCFTRCA12CA1CA2
SCHEMBL8544149 0.82 NPC1 (0.55) NOTUMCES2CA12CA1CA2
SCHEMBL18172327 0.82 CFTR (0.51) NOTUMCFTRATAD2PTGS1
SCHEMBL654773 0.81 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL111187 0.81 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL8506291 0.81 NOTUM (0.68) NOTUMCFTRCES2CA12CA1
SCHEMBL31749401 0.81 NOTUM (0.68) NOTUMCFTRCES2CA12CA1
SCHEMBL2159012 0.81 NOTUM (0.68) NOTUMCFTRCES2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4563146-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2025-06-04 EP disclosed
US-12195472-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2025-01-14 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-02-09 US disclosed
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP disclosed
WO-2002050019-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2002-06-27 WO disclosed
US-20020045749-A1 Antibacterial agents AMGEN INC. 2002-04-18 US disclosed
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 EP disclosed
WO-2001051456-A2 ANTIBACTERIAL AGENTS TULARIK INC. (US) 2001-07-19 WO disclosed
US-5830892-A Piperidine and morphonline derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 1998-11-03 US disclosed
CN-1184105-A Substituted thiazolidine derivatives and pharmaceutical compositions containing them and use thereof OTSUKA PHARMA CO LTD (JP) 1998-06-10 CN disclosed
EP-0835253-A1 PIPERIDINE AND MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1998-04-15 EP disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
WO-1997001553-A1 PIPERIDINE AND MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-01-16 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 (8 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP NOTUM 931/4885CFTR 3130/4885CES2 96/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH NOTUM 1059/4885CFTR 1774/4885CES2 54/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP NOTUM 931/4885CFTR 3130/4885CES2 96/4885
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 NOTUM 4384/4885CFTR 2817/4885CES2 4205/4885
US-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 NOTUM 3607/4885CFTR 3814/4885CES2 2656/4885
US-12195472-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 NOTUM 4384/4885CFTR 2817/4885CES2 4205/4885
US-20020045749-A1 Antibacterial agents MRPL21, HDHD5, CLPP NOTUM 1934/4885CFTR 1827/4885CES2 1483/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP NOTUM 931/4885CFTR 3130/4885CES2 96/4885

“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.