SCHEMBL846781

SCHEMBL846781

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ITGB3 P05106 5/20 0.48
▸ ITGA2B P08514 5/20 0.48
▸ CA2 P00918 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ FPR2 P25090 1/20 0.46
▸ ITGA4 P13612 3/20 0.46
▸ ITGB7 P26010 2/20 0.46
▸ F2 P00734 1/20 0.45
▸ PLG P00747 1/20 0.45
▸ PLAU P00749 1/20 0.45
▸ PLAT P00750 1/20 0.45
▸ LDHA P00338 1/20 0.43
▸ ACE P12821 2/20 0.43
▸ MME P08473 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ ITGB1 P05556 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
SCHEMBL754142 0.88 CA2 (0.46) ITGB3ITGA2BCA2KMT2AFPR2
SCHEMBL10122830 0.87 CYP2C19 (0.47) CYP2C19SMN1; SMN2ITGB3ITGA2BF2
SCHEMBL12205687 0.87 CYP2C19 (0.47) CYP2C19SMN1; SMN2ITGB3ITGA2BKMT2A
SCHEMBL846448 0.87 CYP2C19 (0.47) CYP2C19SMN1; SMN2ITGB3ITGA2BKMT2A
SCHEMBL888740 0.87 CYP2C19 (0.47) CYP2C19SMN1; SMN2ITGB3ITGA2BF2
SCHEMBL8765951 0.83 LDHA (0.63) ITGB3ITGA2BCA2KMT2AFPR2
SCHEMBL10663117 0.83 LDHA (0.63) ITGB3ITGA2BCA2KMT2AFPR2
SCHEMBL28610818 0.81 ITGB3 (0.62) ITGB3ITGA2BITGA4ITGB7ACE
SCHEMBL3389559 0.79 FOLH1 (0.62) CA2ITGA4ITGB7ACEMME
SCHEMBL12159572 0.79 ITGA4 (0.52) ITGB3ITGA2BKMT2AFPR2ITGA4

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
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
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
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
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 — — US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 — — US disclosed
US-9227961-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 — — US disclosed
US-20150322048-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 — — US disclosed
US-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — US disclosed
US-20110286961-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 — — US disclosed
US-20110281910-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-17 — — US disclosed
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 — — US disclosed
US-20110269956-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 — — US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 — — US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 — — US disclosed
US-20110130433-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-06-02 — — US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 — — 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 (14 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4311/4885SMN1; SMN2 4414/4885ITGB3 3120/4885
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL CYP2C19 3320/4885SMN1; SMN2 4310/4885ITGB3 1136/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C19 3369/4885SMN1; SMN2 4352/4885ITGB3 873/4885
US-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 CYP2C19 3727/4885SMN1; SMN2 4709/4885ITGB3 3897/4885
US-20110286961-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C19 3369/4885SMN1; SMN2 4352/4885ITGB3 873/4885
US-20110281910-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4475/4885SMN1; SMN2 4459/4885ITGB3 3246/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C19 3369/4885SMN1; SMN2 4352/4885ITGB3 873/4885
US-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS CYP2C19 3996/4885SMN1; SMN2 4690/4885ITGB3 782/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CYP2C19 3369/4885SMN1; SMN2 4352/4885ITGB3 873/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4311/4885SMN1; SMN2 4414/4885ITGB3 3120/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C19 3369/4885SMN1; SMN2 4352/4885ITGB3 873/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4378/4885SMN1; SMN2 4418/4885ITGB3 3089/4885
US-20150322048-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C19 3369/4885SMN1; SMN2 4352/4885ITGB3 873/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C19 3369/4885SMN1; SMN2 4352/4885ITGB3 873/4885

“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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