SCHEMBL6539261

SCHEMBL6539261

CNC(=O)COc1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 8/20 0.60
PKM P14618 2/20 0.55
RECQL P46063 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SRD5A2 P31213 1/20 0.53
PLA2G4A P47712 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
TP53 P04637 1/20 0.51

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
SCHEMBL17775464 0.85 ALOX15 (0.59) PKMRECQLMEN1KMT2ATSHR
SCHEMBL2858346 0.83 PKM (0.63) PKMRECQLMEN1KMT2ATSHR
SCHEMBL4511288 0.82 HTT (0.57) PLA2G4BPKMRECQLMEN1KMT2A
SCHEMBL2835976 0.82 ALDH1A1 (0.61) PLA2G4BPKMMEN1KMT2ASRD5A2
SCHEMBL171840 0.81 MEN1 (0.61) PKMRECQLMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL10955756 0.81 PKM (0.61) PKMRECQLMEN1KMT2ATSHR
SCHEMBL13916156 0.81 KMT2A (0.54) PKMRECQLMEN1KMT2AALDH1A1
SCHEMBL4427417 0.81 PKM (0.54) PKMRECQLMEN1KMT2AALDH1A1
SCHEMBL13168071 0.81 SMN1; SMN2 (0.49) PKMRECQLMEN1KMT2AALDH1A1
SCHEMBL6538992 0.81 GAA (0.61) PLA2G4BPKMKMT2AMAPK1SRD5A2

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-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
EP-0703216-B1 Amidinophenol derivatives as protease inhibitors ONO PHARMACEUTICAL CO (JP) 1999-04-07 EP disclosed
EP-0703216-A1 Amidinophenol derivatives as protease inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1996-03-27 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB PLA2G4B 690/4885PKM 2588/4885RECQL 2539/4885

“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.