SCHEMBL4072991

SCHEMBL4072991

CCC(O)Cc1cccc(CNC(=O)O)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CXCR4 P61073 1/20 0.36
ADORA2A P29274 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL3747154 0.76 NPSR1 (0.59) NPSR1POLBCYP1A2CYP2D6TSHR
SCHEMBL13734815 0.76 NPSR1 (0.59) NPSR1POLBCYP1A2CYP2D6TSHR
SCHEMBL4073677 0.74 NPSR1 (0.58) NPSR1POLBCYP1A2CYP2D6TSHR
SCHEMBL20525055 0.74 NPSR1 (0.58) NPSR1POLBCYP1A2CYP2D6TSHR
SCHEMBL20524911 0.74 NPSR1 (0.58) NPSR1POLBCYP1A2CYP2D6TSHR
SCHEMBL23355705 0.74 NPSR1 (0.53) NPSR1POLBCYP1A2CYP2D6TSHR
SCHEMBL4064830 0.73 NPSR1 (0.61) NPSR1POLBCYP1A2CYP2D6TSHR
SCHEMBL4072992 0.72 ALDH1A1 (0.34) NPSR1ALDH1A1LMNAGAAPKM
SCHEMBL21874081 0.71 NPSR1 (0.53) NPSR1POLBCYP1A2CYP2D6TSHR
SCHEMBL15578010 0.71 NPSR1 (0.53) NPSR1POLBCYP1A2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B NPSR1 943/4885POLB 2125/4885CYP1A2 3894/4885

“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.