SCHEMBL1853875

SCHEMBL1853875

CCCCCCCCCCCCNC(=O)c1ccc(CN(Cc2cccs2)C(=O)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 1/20 0.53
NAAA Q02083 2/20 0.52
TMEM97 Q5BJF2 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
HDAC3 O15379 3/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
MLYCD O95822 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FOLH1 Q04609 2/20 0.44

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
SCHEMBL1857104 0.90 ALDH1A1 (0.53) ALDH1A1GAAHDAC1HDAC6NPC1
SCHEMBL1853512 0.88 NAAA (0.64) HDAC1HDAC6NPC1RAB9ANAAA
SCHEMBL1851125 0.88 NAAA (0.64) HDAC1HDAC6NPC1RAB9ANAAA
SCHEMBL1859658 0.88 NAAA (0.64) HDAC1HDAC6NPC1RAB9ANAAA
SCHEMBL5049475 0.86 NPC1 (0.56) ALDH1A1GAAHDAC1HDAC6NPC1
SCHEMBL1856912 0.86 TMEM97 (0.60) NAAATMEM97SIGMAR1L3MBTL1THRA
SCHEMBL1857574 0.86 NAAA (0.57) ALDH1A1SMN1; SMN2MAPTNAAATMEM97
SCHEMBL1851280 0.85 NAAA (0.64) NPC1RAB9ASMN1; SMN2NAAATMEM97
SCHEMBL1852914 0.85 NAAA (0.56) HDAC1HDAC6NAAATMEM97SIGMAR1
SCHEMBL1858145 0.84 NAAA (0.50) ALDH1A1HDAC1HDAC6SMN1; SMN2MAPT

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-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
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO 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 ALDH1A1 432/4885GAA 1305/4885HDAC1 431/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 ALDH1A1 3733/4885GAA 1385/4885HDAC1 2136/4885

“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.