SCHEMBL1854885

SCHEMBL1854885

CCCCCCCCCCCc1noc(-c2ccc(CNCCc3ccccc3F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GFER P55789 1/20 0.47
SPHK1 Q9NYA1 3/20 0.47
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46
S1PR1 P21453 3/20 0.43
S1PR2 O95136 2/20 0.43
S1PR3 Q99500 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43
THRB P10828 1/20 0.40
EPHX2 P34913 1/20 0.40
HRH4 Q9H3N8 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
SCHEMBL1854192 1.00 MEN1 (0.47) MEN1KMT2AGFERSPHK1HPGD
SCHEMBL1855102 0.89 SPHK1 (0.42) MEN1KMT2AGFERSPHK1HPGD
SCHEMBL1858717 0.85 SMN1; SMN2 (0.58) SPHK1HPGDNPC1ALDH1A1MAPT
SCHEMBL1853473 0.85 SMN1; SMN2 (0.58) SPHK1HPGDNPC1ALDH1A1MAPT
SCHEMBL1856191 0.82 ALDH1A1 (0.44) SPHK1HPGDNPC1ALDH1A1MAPT
SCHEMBL1856239 0.82 NPC1 (0.46) SPHK1HPGDNPC1ALDH1A1MAPT
SCHEMBL6717601 0.82 NPC1 (0.46) SPHK1HPGDNPC1ALDH1A1MAPT
SCHEMBL1856354 0.81 SPHK1 (0.47) SPHK1HPGDNPC1ALDH1A1MAPT
SCHEMBL1857367 0.81 SPHK1 (0.47) SPHK1HPGDNPC1ALDH1A1MAPT
SCHEMBL6718257 0.81 SPHK1 (0.50) SPHK1HPGDNPC1ALDH1A1MAPT

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 8 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
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
CN-100410236-C Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (CH) 2008-08-13 CN disclosed
CN-1633410-A Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (AN) 2005-06-29 CN 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
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 disclosed
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 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 (1 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 MEN1 2496/4885KMT2A 740/4885GFER 2936/4885

“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.