SCHEMBL9256981

SCHEMBL9256981

O=C(N[C@@H](Cc1ccco1)C(=O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.56
ITGB3 P05106 6/20 0.52
ITGA2B P08514 6/20 0.52
TACR1 P25103 2/20 0.51
CTRB1 P17538 2/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 2/20 0.50
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
ALDH1A1 P00352 2/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7389196 1.00 TYR (0.56) TYRITGB3ITGA2BTACR1CTRB1
SCHEMBL3573493 0.84 CTSS (0.52) TYRITGB3CTSSCTSKALDH1A1
SCHEMBL219151 0.83 TACR1 (0.68) TYRITGB3ITGA2BTACR1CTRB1
SCHEMBL479010 0.83 TACR1 (0.68) TYRITGB3ITGA2BTACR1CTRB1
SCHEMBL7372270 0.83 TACR1 (0.68) TYRITGB3ITGA2BTACR1CTRB1
SCHEMBL220648 0.83 TACR1 (0.68) TYRITGB3ITGA2BTACR1CTRB1
SCHEMBL26661077 0.83 TACR1 (0.68) TYRITGB3ITGA2BTACR1CTRB1
SCHEMBL16847808 0.82 TYR (0.45) TYRTACR1CTRB1CTSLCTSB
SCHEMBL16847804 0.82 CTSL (0.53) ITGB3CTSL
Hypochlorous Acid SCHEMBL7368156 0.81 TACR1 (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-09-29 US disclosed
US-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-09-29 US disclosed
WO-2015095227-A2 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2015-06-25 WO disclosed
US-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 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-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF DNPEP, LNPEP, BCR TYR 1046/4885ITGB3 1212/4885ITGA2B 2170/4885

“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.