SCHEMBL9825831

SCHEMBL9825831

O=C(N[C@@H](Cc1ccccc1O)C(=O)O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.55
ITGB3 P05106 5/20 0.54
ITGA2B P08514 5/20 0.54
TACR1 P25103 2/20 0.53
CTRB1 P17538 2/20 0.52
CTSK P43235 3/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
MME P08473 1/20 0.50
ECE1 P42892 1/20 0.50
NMBR P28336 1/20 0.50

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
SCHEMBL8889717 1.00 TYR (0.55) TYRITGB3ITGA2BTACR1CTRB1
SCHEMBL30825625 0.90 ALDH1A1 (0.58) TYRTACR1CTRB1CTSKCTSL
SCHEMBL8674043 0.90 ALDH1A1 (0.58) TYRTACR1CTRB1CTSKCTSL
SCHEMBL9001867 0.88 TYR (0.49) TYRITGB3ITGA2BTACR1CTRB1
SCHEMBL9001865 0.88 TYR (0.49) TYRITGB3ITGA2BTACR1CTRB1
SCHEMBL220648 0.86 TACR1 (0.68) TYRITGB3ITGA2BTACR1CTRB1
SCHEMBL219151 0.86 TACR1 (0.68) TYRITGB3ITGA2BTACR1CTRB1
SCHEMBL7372270 0.86 TACR1 (0.68) TYRITGB3ITGA2BTACR1CTRB1
SCHEMBL479010 0.86 TACR1 (0.68) TYRITGB3ITGA2BTACR1CTRB1
SCHEMBL26661077 0.86 TACR1 (0.68) TYRITGB3ITGA2BTACR1CTRB1

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-20240132524-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY AVIKO RADIOPHARMACEUTICALS, LLC 2024-04-25 US disclosed
WO-2024064210-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY AVIKO RADIOPHARMACEUTICALS, LLC (US) 2024-03-28 WO disclosed
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP disclosed
US-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 US disclosed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 US disclosed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP 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-20240132524-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY NME2, BTD, BLVRB TYR 3455/4885ITGB3 3125/4885ITGA2B 2258/4885

“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.