SCHEMBL12373434

SCHEMBL12373434

COC(=O)C[C@@H](CC(=O)O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.50
CPB1 P15086 1/20 0.50
CPA3 P15088 1/20 0.50
CPB2 Q96IY4 1/20 0.50
MAOB P27338 1/20 0.48
ABCB1 P08183 2/20 0.48
LTA4H P09960 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MMP1 P03956 2/20 0.44
MIF P14174 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 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
SCHEMBL24376645 0.87 CXCR1 (0.47) MAOBMMP1LMNA
SCHEMBL9755798 0.87 ABCB1 (0.48) CPA1CPB1CPA3CPB2MAOB
SCHEMBL9755795 0.87 ABCB1 (0.48) CPA1CPB1CPA3CPB2MAOB
SCHEMBL11460484 0.86 CPA3 (0.64) CPA1CPB1CPA3CPB2LTA4H
Hydrochloric Acid SCHEMBL4841802 0.84 ABCB1 (0.46) CPA1MAOBABCB1NPC1RAB9A
SCHEMBL6176552 0.82 CPA3 (0.64) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL6489445 0.80 CPA1 (0.54) CPA1ABCB1NPC1RAB9A
SCHEMBL7506611 0.80 ABCB1 (0.48) MAOBABCB1NPC1RAB9AMMP1
SCHEMBL10509525 0.79 NPC1 (0.51) MAOBABCB1LTA4HNPC1RAB9A
SCHEMBL7633821 0.79 ABCB1 (0.57) CPA1MAOBABCB1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 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 (1 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-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CPA1 1653/4885CPB1 399/4885CPA3 1538/4885

“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.