SCHEMBL1855424

SCHEMBL1855424

CCCCCCCCCCCCNC(=O)c1ccc(CNC(CO)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.60
HDAC3 O15379 8/20 0.57
HDAC1 Q13547 5/20 0.55
HDAC2 Q92769 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
MLYCD O95822 1/20 0.48
TLR2 O60603 1/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
CA2 P00918 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL27601017 0.92 NAAA (0.61) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL5039785 0.86 NAAA (0.63) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL5048823 0.86 NAAA (0.63) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL27601086 0.86 NAAA (0.63) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL28754789 0.80 L3MBTL1 (0.62) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL6718542 0.80 NAAA (0.73) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL29300146 0.79 L3MBTL1 (0.60) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL5046504 0.78 NAAA (0.57) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL25590552 0.77 NAAA (0.51) NAAA
SCHEMBL1003239 0.77 NAAA (1.00) NAAAHDAC3HDAC1HDAC2L3MBTL1

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 5 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 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

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 NAAA 1643/4885HDAC3 1478/4885HDAC1 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.