SCHEMBL1854271

SCHEMBL1854271

CCCCCCCCCCCCNC(=O)c1ccc(CN(C(=O)C(=O)O)[C@@H](C)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.56
TMEM97 Q5BJF2 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC3 O15379 4/20 0.48
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MLYCD O95822 1/20 0.46
FOLH1 Q04609 2/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL1854087 1.00 NAAA (0.56) NAAATMEM97SIGMAR1NPC1RAB9A
SCHEMBL1856056 1.00 NAAA (0.56) NAAATMEM97SIGMAR1NPC1RAB9A
SCHEMBL1851111 0.91 TMEM97 (0.50) NAAATMEM97SIGMAR1NPC1RAB9A
SCHEMBL1851118 0.91 TMEM97 (0.50) NAAATMEM97SIGMAR1NPC1RAB9A
SCHEMBL1852887 0.89 TMEM97 (0.50) NAAATMEM97SIGMAR1NPC1RAB9A
SCHEMBL1854991 0.89 TMEM97 (0.50) NAAATMEM97SIGMAR1NPC1RAB9A
SCHEMBL4325130 0.88 NAAA (0.55) NAAATMEM97SIGMAR1NPC1RAB9A
SCHEMBL1856769 0.88 NAAA (0.55) NAAATMEM97SIGMAR1NPC1RAB9A
SCHEMBL4315301 0.88 NAAA (0.55) NAAATMEM97SIGMAR1NPC1RAB9A
SCHEMBL1857690 0.88 NAAA (0.56) NAAATMEM97SIGMAR1NPC1RAB9A

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-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
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US claimed
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 NAAA 684/4885TMEM97 2395/4885SIGMAR1 2165/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 NAAA 1643/4885TMEM97 3884/4885SIGMAR1 4339/4885

“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.