SCHEMBL2136512

SCHEMBL2136512

Cc1sc(C2CCCN2C(=O)CCNCCC(=O)OC(C)(C)C)cc1C(=O)Nc1ncc(F)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 4/20 0.34
CCR2 P41597 1/20 0.33
GCK P35557 5/20 0.33
FFAR2 O15552 4/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
MAOB P27338 2/20 0.32
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31

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
SCHEMBL2138028 0.89 AHR (0.36) AHRMAOACCR2GCKFFAR2
SCHEMBL2136499 0.87 AHR (0.36) AHRL3MBTL1MAOACCR2GCK
SCHEMBL2136182 0.85 L3MBTL1 (0.44) AHRL3MBTL1CCR2FFAR2
SCHEMBL2138644 0.85 AHR (0.42) AHRMAOACCR2GCKFFAR2
SCHEMBL2141116 0.83 AHR (0.36) AHRMAOACCR2GCKMAOB
SCHEMBL2139189 0.82 AHR (0.42) AHRMAOACCR2GCKFFAR2
SCHEMBL2136299 0.82 AHR (0.34) AHRL3MBTL1CCR2GCK
SCHEMBL2136310 0.81 AHR (0.33) AHRL3MBTL1CCR2GCKFAP
SCHEMBL2139572 0.80 AHR (0.40) AHRMAOAGCKPIK3CDPIK3CA
SCHEMBL2141174 0.80 FAP (0.36) L3MBTL1MAOACCR2GCKCCNB2

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 3039/4885L3MBTL1 4632/4885MAOA 1773/4885

“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.