SCHEMBL2137992

SCHEMBL2137992

CCCCC(CC(=O)N1CCCC1c1cc(C(=O)Nc2ncc(F)s2)c(C)s1)NCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.35
PDF Q9HBH1 2/20 0.32
GCK P35557 2/20 0.31
AADAT Q8N5Z0 1/20 0.31
MAOA P21397 2/20 0.31
CCR2 P41597 1/20 0.30
FFAR2 O15552 2/20 0.30

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
SCHEMBL2136310 0.91 AHR (0.33) AHRPDFGCKCCR2
SCHEMBL2138688 0.89 AHR (0.35) AHRPDFGCKMAOA
SCHEMBL2139189 0.81 AHR (0.42) AHRPDFGCKAADATMAOA
SCHEMBL2137980 0.81 AHR (0.36) AHRPDFGCKAADATMAOA
SCHEMBL2138644 0.81 AHR (0.42) AHRPDFGCKAADATMAOA
SCHEMBL2139572 0.79 AHR (0.40) AHRGCKAADATMAOA
Hydrochloric Acid SCHEMBL2140025 0.77 AHR (0.36) AHRGCKAADATMAOA
SCHEMBL2138480 0.77 AHR (0.42) AHRPDFGCKMAOAFFAR2
SCHEMBL2138898 0.76 AHR (0.40) AHRPDFGCKMAOACCR2
SCHEMBL2136299 0.76 AHR (0.34) AHRGCKCCR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101137-A1 NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2012-04-26 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-20120101137-A1 NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF GCK, GCKR, HK2 AHR 3039/4885PDF 1418/4885GCK 1/4885

“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.