SCHEMBL13830117

SCHEMBL13830117

C=CCCC(C)C[C@@H](C)C(NC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CTSK P43235 3/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CTSL P07711 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL13729938 0.88 SMN1; SMN2 (0.43) SMN1; SMN2CTSKCTSSCYP1A2CYP2C9
SCHEMBL13729940 0.88 SMN1; SMN2 (0.43) SMN1; SMN2CTSKCTSSCYP1A2CYP2C9
SCHEMBL16693834 0.86 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL13728351 0.86 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL13728683 0.86 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL17371049 0.85 SMN1; SMN2 (0.41) SMN1; SMN2CTSKCTSSCYP1A2CYP2C9
SCHEMBL14317721 0.84 SMN1; SMN2 (0.45) SMN1; SMN2CTSKCTSSCYP1A2CYP2C9
SCHEMBL15672734 0.82 SMN1; SMN2 (0.50) SMN1; SMN2CTSKCTSSCYP1A2CYP2C9
SCHEMBL13728227 0.79 CTSK (0.42) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL13729111 0.79 CTSK (0.42) SMN1; SMN2CTSKCTSSCA1CA2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914614-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-16 — — EP disclosed
US-9643999-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-09 — — 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
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
US-9409943-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 — — US disclosed
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 — — US disclosed
US-20150239930-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 — — US disclosed
US-20150125422-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-05-07 — — US disclosed
US-8957203-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-17 — — US disclosed
US-20140127156-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2014-05-08 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20150239930-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 SMN1; SMN2 4455/4885CTSK 945/4885CTSS 1082/4885
US-20150125422-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 SMN1; SMN2 4455/4885CTSK 945/4885CTSS 1082/4885
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 SMN1; SMN2 4455/4885CTSK 945/4885CTSS 1082/4885
US-20140127156-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 SMN1; SMN2 4455/4885CTSK 945/4885CTSS 1082/4885
US-20130115190-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 SMN1; SMN2 4455/4885CTSK 945/4885CTSS 1082/4885

“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.

Send feedback