SCHEMBL846448

SCHEMBL846448

COC(=O)NC(Cc1ccc(OP(C)(=O)O)cc1)C(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.43
▸ F2 P00734 2/20 0.42
▸ PLG P00747 2/20 0.42
▸ PLAU P00749 2/20 0.42
▸ PLAT P00750 2/20 0.42
▸ F10 P00742 1/20 0.42
▸ ITGB3 P05106 2/20 0.42
▸ ITGA2B P08514 2/20 0.42
▸ ACACB O00763 1/20 0.39
▸ CTSS P25774 6/20 0.39
▸ CTSK P43235 5/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GRB2 P62993 2/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38

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
SCHEMBL12205687 1.00 CYP2C19 (0.47) CYP2C19SMN1; SMN2HDAC8F2PLG
SCHEMBL10293316 0.90 F2 (0.41) CYP2C19SMN1; SMN2HDAC8F2PLG
SCHEMBL8909381 0.90 F2 (0.41) CYP2C19SMN1; SMN2HDAC8F2PLG
SCHEMBL846781 0.87 CYP2C19 (0.49) CYP2C19SMN1; SMN2F2PLGPLAU
SCHEMBL10122830 0.85 CYP2C19 (0.47) CYP2C19SMN1; SMN2HDAC8F2PLG
SCHEMBL888740 0.85 CYP2C19 (0.47) CYP2C19SMN1; SMN2HDAC8F2PLG
SCHEMBL8906641 0.80 CTSS (0.52) CYP2C19CTSSCTSKMEN1ALDH1A1
SCHEMBL8906760 0.80 CTSS (0.52) CYP2C19CTSSCTSKMEN1ALDH1A1
SCHEMBL8909419 0.78 NPC1 (0.57) SMN1; SMN2HDAC8ITGB3ITGA2B
SCHEMBL8907714 0.78 ACACB (0.43) ACACBCTSSCTSKALDH1A1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822444-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 — — US disclosed
US-8796466-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-05 — — US disclosed
US-20120277266-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-11-01 — — US disclosed
US-8211928-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-03 — — US disclosed
US-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 — — 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
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 — — 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 (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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4311/4885SMN1; SMN2 4414/4885HDAC8 1581/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4311/4885SMN1; SMN2 4414/4885HDAC8 1581/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4311/4885SMN1; SMN2 4414/4885HDAC8 1581/4885
US-20120277266-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4311/4885SMN1; SMN2 4414/4885HDAC8 1581/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4378/4885SMN1; SMN2 4418/4885HDAC8 1500/4885

“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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