SCHEMBL8298601

SCHEMBL8298601

COC(=O)[C@@H]1CC(F)(F)CN1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
FKBP1A P62942 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PREP P48147 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 4/20 0.43
TSHR P16473 4/20 0.43
CASP1 P29466 1/20 0.43
CPB1 P15086 1/20 0.43
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL8279227 1.00 MITF (0.48) MITFMAPTHTTFKBP1ANPSR1
SCHEMBL2124213 0.88 NPSR1 (0.48) MITFMAPTHTTFKBP1ANPSR1
SCHEMBL703547 0.88 SMN1; SMN2 (0.48) NPSR1PREPSMN1; SMN2NPC1RAB9A
SCHEMBL5765399 0.88 SMN1; SMN2 (0.48) NPSR1PREPSMN1; SMN2NPC1RAB9A
SCHEMBL3471343 0.87 PDK1 (0.44) MITFMAPTHTTFKBP1APREP
SCHEMBL16241249 0.87 MITF (0.46) MITFMAPTHTTFKBP1ANPSR1
SCHEMBL16241248 0.87 MITF (0.46) MITFMAPTHTTFKBP1ANPSR1
SCHEMBL16241371 0.87 MITF (0.46) MITFMAPTHTTFKBP1ANPSR1
SCHEMBL18020339 0.87 MITF (0.49) MITFMAPTHTTFKBP1ANPSR1
SCHEMBL4849095 0.86 HTT (0.48) MITFMAPTHTTFKBP1ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017186147-A1 BENZIMIDAZOLE-LINKED INDOLE COMPOUND ACTING AS NOVEL DIVALENT IAP ANTAGONIST 南京明德新药研发股份有限公司 2017-11-02 WO disclosed
EP-2368900-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP disclosed
EP-2341065-A2 Inhibitors of serine proteases, particularly HCV NS3-NS4a protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-06 EP disclosed
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-02-10 US disclosed
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-02-10 US disclosed
US-7820660-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-10-26 US disclosed
US-7820660-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-10-26 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2008-11-06 US disclosed
US-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2008-11-06 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070123524-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2007-05-31 US disclosed
US-20070123524-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2007-05-31 US disclosed
US-7217713-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-05-15 US disclosed
US-7217713-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-05-15 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US disclosed
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US disclosed
WO-2005007681-A9 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE 2006-04-06 WO disclosed
WO-2005007681-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-01-27 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 (4 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-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, REV1, CCNI MITF 4672/4885MAPT 3986/4885HTT 3845/4885
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE IMPDH1, REV1, CCNI MITF 4672/4885MAPT 3986/4885HTT 3845/4885
US-20070123524-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, REV1, CCNI MITF 4672/4885MAPT 3986/4885HTT 3845/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP MITF 4776/4885MAPT 4113/4885HTT 3193/4885

“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.