SCHEMBL2853642

SCHEMBL2853642

CCCCCCCCC#Cc1ccc(CN(Cc2ccc(C=CC(=O)O)cc2)C(=O)CCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.56
FFAR4 Q5NUL3 3/20 0.56
SNCA P37840 2/20 0.43
LTB4R2 Q9NPC1 2/20 0.43
MMP2 P08253 1/20 0.43
MMP12 P39900 1/20 0.43
AKR1C3 P42330 2/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41

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
SCHEMBL2853639 1.00 FFAR1 (0.56) FFAR1FFAR4SNCALTB4R2MMP2
SCHEMBL13708327 0.91 FFAR1 (0.53) FFAR1FFAR4SNCALTB4R2MMP2
SCHEMBL2853019 0.90 FFAR1 (0.53) FFAR1FFAR4LTB4R2MMP2MMP12
SCHEMBL2853026 0.90 FFAR1 (0.53) FFAR1FFAR4LTB4R2MMP2MMP12
SCHEMBL13711730 0.88 KDM4E (0.52) LTB4R2AKR1C3KMT2AKDM4ENPC1
SCHEMBL10743945 0.82 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KDM4E
SCHEMBL10744817 0.82 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KDM4E
SCHEMBL10744821 0.82 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KDM4E
SCHEMBL10743942 0.82 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KDM4E
SCHEMBL2855198 0.79 FFAR1 (0.49) FFAR1FFAR4SNCALTB4R2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP claimed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US claimed
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
EP-1654247-A1 ALKYNYL ARYL CARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005012280-A1 ALKYNYL ARYL CARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-02-10 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS FFAR1 91/4885FFAR4 218/4885SNCA 4113/4885

“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.