SCHEMBL1856005

SCHEMBL1856005

CCCCCc1ccc(CNC(=O)c2cc(Br)c(CN(Cc3ccc(I)cc3)C(=O)C(=O)O)c(Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HDAC3 O15379 4/20 0.38
SPHK1 Q9NYA1 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HAO1 Q9UJM8 1/20 0.37

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
SCHEMBL1857834 0.89 TRPV1 (0.44) TRPV1ALDH1A1HPGDHDAC3HDAC1
SCHEMBL4317777 0.88 LSS (0.49) TRPV1
SCHEMBL5047722 0.87 TRPV1 (0.43) TRPV1ALDH1A1HPGDHDAC3SPHK1
SCHEMBL1859045 0.87 STAT3 (0.46) TRPV1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL1856089 0.86 EPHX2 (0.46) ALDH1A1HPGDSMN1; SMN2
SCHEMBL1855452 0.83 PTGES (0.42) TRPV1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL1861363 0.83 TRPV1 (0.40) TRPV1ALDH1A1HPGDHDAC3SPHK1
SCHEMBL1857257 0.82 HSD11B1 (0.40) ALDH1A1HPGD
SCHEMBL4325004 0.82 AKR1C4 (0.40) TRPV1ALDH1A1HPGDHDAC3HDAC1
SCHEMBL1861388 0.81 MAPK14 (0.47) TRPV1ALDH1A1HPGDLMNA

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-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
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 TRPV1 2693/4885ALDH1A1 432/4885HPGD 114/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 TRPV1 1229/4885ALDH1A1 3733/4885HPGD 2379/4885

“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.