SCHEMBL8939524

SCHEMBL8939524

COc1ccc2[nH]cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.65
ACE P12821 1/20 0.60
TACR1 P25103 2/20 0.56
ITGB2 P05107 1/20 0.56
ICAM1 P05362 1/20 0.56
ITGAL P20701 1/20 0.56
CTSL P07711 2/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
KDM4E B2RXH2 1/20 0.55
KMT2A Q03164 4/20 0.54
MMP2 P08253 1/20 0.54
MMP13 P45452 1/20 0.54
MMP14 P50281 1/20 0.54
ADAM17 P78536 1/20 0.54
MEN1 O00255 2/20 0.53
HTR1A P08908 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52

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
SCHEMBL8939526 1.00 SCN9A (0.65) SCN9AACETACR1ITGB2ICAM1
SCHEMBL31407794 1.00 SCN9A (0.65) SCN9AACETACR1ITGB2ICAM1
SCHEMBL31725820 0.92 TACR1 (0.61) SCN9AACETACR1CTSLCTSS
SCHEMBL20738959 0.91 SCN9A (0.64) SCN9AACETACR1CTSLCTSS
SCHEMBL20738958 0.91 SCN9A (0.64) SCN9AACETACR1CTSLCTSS
SCHEMBL30037910 0.91 SCN9A (0.64) SCN9AACETACR1CTSLCTSS
SCHEMBL5107823 0.90 SCN9A (0.65) SCN9AACETACR1ITGB2ICAM1
SCHEMBL21292790 0.87 ACE (0.62) SCN9AACETACR1CTSLCTSS
SCHEMBL21309458 0.87 HTR1A (0.57) SCN9ATACR1CTSLCTSSCTSK
SCHEMBL4108869 0.87 ACE (0.62) SCN9AACETACR1CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed
EP-0563132-B1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES BLACK JAMES FOUNDATION (GB) 1996-02-07 EP disclosed
US-5486597-A GASTRIN ANTAGONIST AS ANTISECRETORY AGENTS OF GASTRIC JUICE FOR STOMACH CANCER JAMES BLACK FOUNDATION LIMITED (GB) 1996-01-23 US disclosed
EP-0563132-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES. BLACK JAMES FOUNDATION (GB) 1993-10-06 EP disclosed
WO-1992011284-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES THE JAMES BLACK FOUNDATION LIMITED (GB) 1992-07-09 WO 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-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 SCN9A 914/4885ACE 1944/4885TACR1 2053/4885

“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.