SCHEMBL1855849

SCHEMBL1855849

NCc1ccc(-c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.67
TAAR1 Q96RJ0 3/20 0.59
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
EPHX2 P34913 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
BCL2 P10415 1/20 0.54
CFD P00746 1/20 0.54
HDAC1 Q13547 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
PGGT1B P53609 2/20 0.52
DHODH Q02127 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
Hydrochloric Acid SCHEMBL1853944 0.98 KMO (0.65) KMOTAAR1LMNAGAAEPHX2
Hydrochloric Acid SCHEMBL6720898 0.97 KMO (0.62) KMOTAAR1LMNAGAAEPHX2
SCHEMBL1252499 0.89 CFD (0.66) KMORXRARXRBBCL2CFD
SCHEMBL14683877 0.87 KMO (0.87) KMOLMNAGAARXRARXRB
SCHEMBL29577419 0.87 KMO (0.87) KMOLMNAGAARXRARXRB
SCHEMBL27352380 0.86 ERN1 (0.54) TAAR1CFDHDAC1DHODH
SCHEMBL5154732 0.86 KMO (0.67) KMOLMNAGAAEPHX2NR1H4
SCHEMBL27416185 0.85 CTRC (0.54) KMOTAAR1EPHX2NR1H4DHODH
SCHEMBL3220396 0.85 KMO (0.91) KMOLMNAGAARXRARXRB
SCHEMBL437537 0.84 KMO (0.91) KMOLMNAGAARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 KMO 1025/4885TAAR1 1657/4885LMNA 4700/4885

“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.