SCHEMBL1336271

SCHEMBL1336271

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
FKBP1A P62942 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PREP P48147 2/20 0.45
MITF O75030 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
HTR2C P28335 1/20 0.44
CPB1 P15086 1/20 0.44
PEPD P12955 1/20 0.44
XPNPEP1 Q9NQW7 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 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
SCHEMBL3784071 1.00 POLB (0.49) POLBFKBP1ANPSR1PREPMITF
SCHEMBL4245807 1.00 POLB (0.49) POLBFKBP1ANPSR1PREPMITF
SCHEMBL4245806 1.00 POLB (0.49) POLBFKBP1ANPSR1PREPMITF
SCHEMBL3793417 1.00 POLB (0.49) POLBFKBP1ANPSR1PREPMITF
SCHEMBL3788934 1.00 POLB (0.49) POLBFKBP1ANPSR1PREPMITF
SCHEMBL21874256 0.87 NPC1 (0.49) POLBNPC1RAB9ASMN1; SMN2PDK1
SCHEMBL1150913 0.87 NPC1 (0.49) POLBNPC1RAB9ASMN1; SMN2PDK1
SCHEMBL9940046 0.87 NPC1 (0.49) POLBNPC1RAB9ASMN1; SMN2PDK1
SCHEMBL11450804 0.87 NPC1 (0.49) POLBNPC1RAB9ASMN1; SMN2PDK1
SCHEMBL2499400 0.87 NPC1 (0.49) POLBNPC1RAB9ASMN1; SMN2PDK1

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 22 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
US-8203003-B2 4-fluoropyrrolidine-2-carbonyl fluoride compounds and their preparative methods UBE INDUSTRIES, LTD. (JP) 2012-06-19 US disclosed
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods UBE INDUSTRIES, LTD. (JP) 2011-11-10 US disclosed
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods UBE INDUSTRIES, LTD. (JP) 2011-11-10 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-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-20100174096-A1 Methods for Production of Optically Active Fluoropyrrolidine Derivatives IM&T RESEARCH, INC. (US) 2010-07-08 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-7279584-B2 Method for production of cis-4-fluoro-L-proline derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-10-09 US disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 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
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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
US-20060281927-A1 Process for production of cis-4-fluoro-l-proline derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-14 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 (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-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, REV1, CCNI POLB 124/4885FKBP1A 3204/4885NPSR1 3460/4885
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods PFAS, AFF4, PAICS POLB 1820/4885FKBP1A 1750/4885NPSR1 4088/4885
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE IMPDH1, REV1, CCNI POLB 124/4885FKBP1A 3204/4885NPSR1 3460/4885
US-20100174096-A1 Methods for Production of Optically Active Fluoropyrrolidine Derivatives QDPR, FDPS, DPYD POLB 1745/4885FKBP1A 2321/4885NPSR1 2672/4885
US-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 POLB 3774/4885FKBP1A 1684/4885NPSR1 807/4885
US-20070123524-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, REV1, CCNI POLB 124/4885FKBP1A 3204/4885NPSR1 3460/4885
US-20060281927-A1 Process for production of cis-4-fluoro-l-proline derivatives PRAP1, P4HA1, SLC6A7 POLB 2877/4885FKBP1A 551/4885NPSR1 193/4885

“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.