SCHEMBL1851111

SCHEMBL1851111

CCCCCCCCCCCCNC(=O)c1ccc(CN(C(=O)C(=O)O)[C@H](C)c2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.50
SIGMAR1 Q99720 6/20 0.50
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NAAA Q02083 2/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.46
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
FOLH1 Q04609 2/20 0.43
MLYCD O95822 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL1851118 1.00 TMEM97 (0.50) TMEM97SIGMAR1RAB9ASMN1; SMN2MEN1
SCHEMBL1856056 0.91 NAAA (0.56) TMEM97SIGMAR1RAB9ASMN1; SMN2NAAA
SCHEMBL1854087 0.91 NAAA (0.56) TMEM97SIGMAR1RAB9ASMN1; SMN2NAAA
SCHEMBL1854271 0.91 NAAA (0.56) TMEM97SIGMAR1RAB9ASMN1; SMN2NAAA
SCHEMBL1854991 0.88 TMEM97 (0.50) TMEM97SIGMAR1RAB9ASMN1; SMN2MEN1
SCHEMBL1852887 0.88 TMEM97 (0.50) TMEM97SIGMAR1RAB9ASMN1; SMN2MEN1
SCHEMBL1853811 0.86 TMEM97 (0.48) TMEM97SIGMAR1RAB9ASMN1; SMN2MEN1
SCHEMBL1857690 0.85 NAAA (0.56) TMEM97SIGMAR1RAB9ASMN1; SMN2MEN1
SCHEMBL6022822 0.84 CA2 (0.47) TMEM97SIGMAR1RAB9ASMN1; SMN2MEN1
SCHEMBL1855571 0.83 NAAA (0.44) TMEM97SIGMAR1RAB9ASMN1; SMN2NAAA

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 10 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
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 TMEM97 2395/4885SIGMAR1 2165/4885RAB9A 2333/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 TMEM97 3884/4885SIGMAR1 4339/4885RAB9A 3290/4885

“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.