SCHEMBL13729779

SCHEMBL13729779

FC(F)COc1cnc(Cl)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
CASP6 P55212 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MAPK1 P28482 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
CYP3A4 P08684 1/20 0.34
APEX1 P27695 1/20 0.34
PMP22 Q01453 1/20 0.34
AKT1 P31749 3/20 0.33
ROCK2 O75116 1/20 0.33
FYN P06241 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AKT2 P31751 1/20 0.33
RPS6KA3 P51812 1/20 0.33

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
SCHEMBL13729468 0.81 GRM4 (0.33) MAPK1LMNAMAPTCYP3A4MEN1
SCHEMBL14924245 0.80 ALDH1A1 (0.35) MAPK1LMNAMAPTHTR2AHTR2C
SCHEMBL13729703 0.78 DYRK1A (0.36) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL13728697 0.77 SSTR4 (0.43) SSTR4CASP6PDE4APDE4BPDE4C
SCHEMBL13730324 0.75 ENPP1 (0.43) SSTR4CASP6LMNAMAPTMEN1
SCHEMBL7238321 0.75 HTR1A (0.46) MAPK1LMNAMAPTTDP1L3MBTL1
SCHEMBL18391356 0.73 SSTR4 (0.52) SSTR4CASP6PDE4APDE4BPDE4C
SCHEMBL13730186 0.73 SSTR4 (0.41) SSTR4CASP6MAPK1LMNAMAPT
SCHEMBL27958872 0.73 CYP1A2 (0.41) SSTR4MAPK1LMNAAPEX1PMP22
SCHEMBL13729667 0.73 CA12 (0.43) SSTR4MAPK1MAPTCYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
EP-2705049-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 EP disclosed
EP-2705049-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 EP disclosed
US-8957203-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-17 US disclosed
US-8957203-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-17 US disclosed
US-8957203-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-17 US disclosed
WO-2014062196-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO disclosed
EP-2705049-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-03-12 EP disclosed
US-20130115190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-09 US disclosed
US-20130115190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-09 US disclosed
US-20130115190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-09 US disclosed
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 WO disclosed
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 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 (1 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-20130115190-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 SSTR4 4816/4885CASP6 2116/4885PDE4A 3239/4885

“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.