SCHEMBL754142

SCHEMBL754142

COC(=O)N[C@@H](Cc1ccc(OP(=O)(O)OC)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ FPR2 P25090 1/20 0.45
▸ ITGA4 P13612 3/20 0.45
▸ ITGB7 P26010 2/20 0.45
▸ ITGB3 P05106 7/20 0.45
▸ ITGA2B P08514 7/20 0.45
▸ F2 P00734 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ PLAT P00750 1/20 0.44
▸ LDHA P00338 1/20 0.42
▸ MME P08473 1/20 0.42
▸ ACE P12821 1/20 0.42
▸ CPA1 P15085 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ ITGB1 P05556 2/20 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
SCHEMBL13255953 0.90 F2 (0.43) CA2ITGB3ITGA2BF2PLG
SCHEMBL12980056 0.90 F2 (0.43) CA2ITGB3ITGA2BF2PLG
SCHEMBL846781 0.88 CYP2C19 (0.49) CA2KMT2AFPR2ITGA4ITGB7
SCHEMBL10228106 0.88 ACACB (0.41) CA2KMT2AITGA4ITGB7F2
SCHEMBL12980245 0.88 ACACB (0.41) CA2F2PLGPLAUPLAT
SCHEMBL12281789 0.88 ACACB (0.41) CA2KMT2AITGA4ITGB7F2
SCHEMBL8906922 0.88 ACACB (0.41) CA2F2PLGPLAUPLAT
SCHEMBL10293316 0.86 F2 (0.41) KMT2AFPR2ITGB3ITGA2BF2
SCHEMBL8909381 0.86 F2 (0.41) KMT2AFPR2ITGB3ITGA2BF2
SCHEMBL10184219 0.84 ACACB (0.56) FPR2F2PLGPLAUPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 — — EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 — — EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 — — EP disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 — — US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 — — US disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 — — WO disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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 (6 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL CA2 4624/4885KMT2A 4482/4885FPR2 3926/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CA2 4556/4885KMT2A 4516/4885FPR2 3812/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CA2 4556/4885KMT2A 4516/4885FPR2 3812/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CA2 4556/4885KMT2A 4516/4885FPR2 3812/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CA2 4556/4885KMT2A 4516/4885FPR2 3812/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CA2 4556/4885KMT2A 4516/4885FPR2 3812/4885

“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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