SCHEMBL15768555

SCHEMBL15768555

CCOC(=O)[C@H](Cc1ccc(-c2ccsc2)cc1)CP(=O)(OCC)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.41
CTSS P25774 2/20 0.41
PTGS2 P35354 1/20 0.39
PTPRB P23467 1/20 0.38
SCN9A Q15858 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
BCL2 P10415 1/20 0.36
ATM Q13315 1/20 0.36
EED O75530 1/20 0.35
TSHR P16473 1/20 0.35
MME P08473 1/20 0.35
ANPEP P15144 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
SCHEMBL1764378 1.00 CTSK (0.41) CTSKCTSSPTGS2PTPRBSCN9A
SCHEMBL15768378 0.82 ANPEP (0.45) CTSKCTSSPTPRBMMEANPEP
SCHEMBL1764443 0.82 ANPEP (0.45) CTSKCTSSPTPRBMMEANPEP
SCHEMBL1764696 0.78 MME (0.50) CTSKCTSSMMEANPEP
SCHEMBL1764698 0.76 MME (0.45) CTSKCTSSMMEANPEP
SCHEMBL1763963 0.72 ACE2 (0.52) MME
SCHEMBL5916356 0.70 ACE2 (0.48) CTSKCTSSEPHX2PPARGATM
SCHEMBL1763964 0.69 HSD17B10 (0.55) EPHX2PPARGMME
SCHEMBL7611036 0.69 MME (0.67) MMEANPEP
SCHEMBL7611034 0.69 MME (0.67) MMEANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131681-B2 Aminophosphinic derivatives that can be used in the treatment of pain PHARMALEADS (FR) 2018-11-20 US disclosed
US-20140161839-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN PHARMALEADS (FR) 2014-06-12 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 (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-10131681-B2 Aminophosphinic derivatives that can be used in the treatment of pain OPRM1, HRH3, HRH4 CTSK 4640/4885CTSS 4444/4885PTGS2 2270/4885
US-20140161839-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN OPRM1, HRH3, HRH4 CTSK 4640/4885CTSS 4444/4885PTGS2 2270/4885

“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.