SCHEMBL1850884

SCHEMBL1850884

CCCCCCCCCCCCNC(=O)c1cccc(CN(Cc2ccc(C(F)(F)F)nc2)C(=O)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MLYCD O95822 1/20 0.41
KCNH2 Q12809 1/20 0.40
TP53BP1 Q12888 1/20 0.40
TMEM97 Q5BJF2 4/20 0.39
SIGMAR1 Q99720 4/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
IDE P14735 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NAMPT P43490 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL1855106 0.90 MLYCD (0.49) NAAAALDH1A1SMN1; SMN2MLYCDTMEM97
SCHEMBL5044129 0.89 MRGPRX4 (0.47) NAAAMRGPRX4ALDH1A1POLBSMN1; SMN2
SCHEMBL1858157 0.86 TMEM97 (0.53) NAAAMRGPRX4ALDH1A1POLBSMN1; SMN2
SCHEMBL1853372 0.85 ALDH1A1 (0.56) NAAAMRGPRX4ALDH1A1POLBSMN1; SMN2
SCHEMBL5044180 0.85 MRGPRX4 (0.48) NAAAMRGPRX4ALDH1A1POLBSMN1; SMN2
SCHEMBL1853992 0.85 CA2 (0.46) NAAASMN1; SMN2MLYCDTMEM97SIGMAR1
SCHEMBL1855162 0.84 NAAA (0.60) NAAASMN1; SMN2TMEM97SIGMAR1L3MBTL1
SCHEMBL5044177 0.83 MRGPRX4 (0.48) NAAAMRGPRX4ALDH1A1POLBSMN1; SMN2
SCHEMBL1855256 0.83 EPHX2 (0.51) NAAASMN1; SMN2HDAC2
SCHEMBL1857222 0.83 NAAA (0.55) NAAASMN1; SMN2TMEM97SIGMAR1L3MBTL1

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
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 claimed
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 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
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 NAAA 684/4885MRGPRX4 2442/4885ALDH1A1 432/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 NAAA 1643/4885MRGPRX4 2943/4885ALDH1A1 3733/4885

“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.