SCHEMBL1855554

SCHEMBL1855554

CCCCCc1ccc(CNC(=O)c2cccc(-c3ccc(CN(Cc4cccc(C#N)c4)C(=O)C(=O)O)cc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
CHRM3 P20309 1/20 0.43
CFD P00746 1/20 0.42
SENP1 Q9P0U3 3/20 0.41
AKR1C3 P42330 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
ERN1 O75460 1/20 0.40
ROCK2 O75116 1/20 0.40
MAOA P21397 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1855976 0.90 EPHX2 (0.55) EPHX2NR1H4CFDSENP1TRPV1
SCHEMBL1853253 0.90 NAMPT (0.44)
SCHEMBL1858105 0.90 NAMPT (0.44)
SCHEMBL1856432 0.87 F10 (0.47) MMP12MMP13
SCHEMBL1854934 0.86 EPHX2 (0.49) EPHX2NR1H4CFDSENP1AKR1C3
SCHEMBL5047742 0.85 CHRM3 (0.47) EPHX2NR1H4CHRM3CFDSENP1
SCHEMBL1851264 0.84 LSS (0.48) EPHX2NR1H4AKR1C3TRPV1
SCHEMBL5047048 0.82 EPHX2 (0.41) EPHX2NR1H4CHRM3CFDSENP1
SCHEMBL1854024 0.81 NAAA (0.49) ROCK2
SCHEMBL1857174 0.81 NPC1 (0.49) TRPV1

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 9 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 claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US claimed
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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 EPHX2 495/4885NR1H4 510/4885CHRM3 298/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 EPHX2 2771/4885NR1H4 1543/4885CHRM3 3405/4885

“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.