SCHEMBL2139202

SCHEMBL2139202

Cc1sc([C@@H]2C[C@@H](F)CN2C(=O)CNCC(=O)OC(C)(C)C)cc1C(=O)Nc1ncc(F)s1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.37
GCK P35557 3/20 0.34
MAOA P21397 4/20 0.32
CCR2 P41597 1/20 0.32
DPP4 P27487 1/20 0.31
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
MAOB P27338 2/20 0.30
FFAR2 O15552 1/20 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
SCHEMBL2141116 0.93 AHR (0.36) AHRGCKMAOACCR2CCNB2
SCHEMBL2138670 0.90 AHR (0.37) AHRGCKMAOACCR2DPP4
SCHEMBL2141547 0.90 AHR (0.36) AHRGCKMAOA
SCHEMBL2141107 0.88 AHR (0.36) AHRGCKMAOACCR2CCNB2
SCHEMBL2137626 0.87 AHR (0.41) AHRGCKMAOACCR2MAOB
Trifluoroacetic Acid SCHEMBL2141540 0.87 AHR (0.37) AHRGCKMAOACCR2MAOB
SCHEMBL2706668 0.85 AHR (0.38) AHRGCKMAOADPP4MAOB
Hydrochloric Acid SCHEMBL2139157 0.81 AHR (0.38) AHRGCKMAOAMAOBFFAR2
Hydrochloric Acid SCHEMBL2139139 0.79 AHR (0.38) AHRGCKMAOAMAOB
SCHEMBL2141588 0.79 CCR2 (0.35) AHRMAOACCR2MAOBFFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2447265-A1 NOVEL THIOPHENE CARBOXAMIDE DERIVATIVE AND MEDICINAL USE OF SAME Sanwa Kagaku Kenkyusho Co., Ltd (JP) 2012-05-02 EP disclosed
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 3039/4885GCK 1/4885MAOA 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.