SCHEMBL13728683

SCHEMBL13728683

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.41
▸ CTSS P25774 4/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL13728351 1.00 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL16693834 1.00 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL13830117 0.86 SMN1; SMN2 (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL13729111 0.86 CTSK (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL13728227 0.86 CTSK (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL16011870 0.84 CTSK (0.38) CTSKCTSSCA1CA2CA7
SCHEMBL16011869 0.84 CTSK (0.38) CTSKCTSSCA1CA2CA7
SCHEMBL3195908 0.84 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL3195905 0.84 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL15668708 0.81 CTSK (0.42) CTSKCTSSCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914598-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
EP-2914598-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
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-9643999-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-09 — — US disclosed
US-9580463-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-28 — — US disclosed
EP-2964664-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-11 — — EP 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
WO-2014071007-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 — — WO disclosed
WO-2014071007-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 — — WO disclosed
US-20140127156-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2014-05-08 — — US disclosed
WO-2014071032-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 — — WO 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
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 (2 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-20140127156-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 CTSK 945/4885CTSS 1082/4885CA1 4316/4885
US-20130115190-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 CTSK 945/4885CTSS 1082/4885CA1 4316/4885

“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.

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