SCHEMBL2138016

SCHEMBL2138016

COC(=O)CCCCN(C)CC(=O)N1CCCC1c1cc(C(=O)Nc2ncc(F)s2)c(C)s1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.36
GCK P35557 4/20 0.32
PRNP P04156 1/20 0.32
MAOA P21397 2/20 0.31
TMPRSS15 P98073 1/20 0.31
ITK Q08881 1/20 0.30
AADAT Q8N5Z0 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
Hydrochloric Acid SCHEMBL2140025 0.92 AHR (0.36) AHRGCKPRNPMAOAAADAT
SCHEMBL2141763 0.91 PRNP (0.32) PRNPMAOAITK
SCHEMBL2136499 0.88 AHR (0.36) AHRGCKPRNPMAOAAADAT
SCHEMBL2138028 0.87 AHR (0.36) AHRGCKMAOAAADAT
SCHEMBL2137980 0.82 AHR (0.36) AHRGCKPRNPMAOAAADAT
SCHEMBL2136299 0.82 AHR (0.34) AHRGCK
SCHEMBL2138644 0.81 AHR (0.42) AHRGCKPRNPMAOAAADAT
SCHEMBL2139189 0.80 AHR (0.42) AHRGCKPRNPMAOAAADAT
SCHEMBL2136512 0.79 AHR (0.37) AHRGCKMAOAAADAT
SCHEMBL2139572 0.78 AHR (0.40) AHRGCKPRNPMAOAAADAT

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 1/4885PRNP 3375/4885

“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.