SCHEMBL2138688

SCHEMBL2138688

CCCCC(CC(=O)N1C[C@H](F)C[C@H]1c1cc(C(=O)Nc2ncc(F)s2)c(C)s1)NCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.35
GCK P35557 1/20 0.31
MAOA P21397 2/20 0.31
PDF Q9HBH1 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
SCHEMBL2137992 0.89 AHR (0.35) AHRGCKMAOAPDF
SCHEMBL2706668 0.84 AHR (0.38) AHRGCKMAOA
Hydrochloric Acid SCHEMBL2139157 0.82 AHR (0.38) AHRGCKMAOA
Trifluoroacetic Acid SCHEMBL2141540 0.81 AHR (0.37) AHRGCKMAOA
Hydrochloric Acid SCHEMBL2139139 0.80 AHR (0.38) AHRGCKMAOA
SCHEMBL2138670 0.77 AHR (0.37) AHRGCKMAOA
SCHEMBL2139202 0.77 AHR (0.37) AHRGCKMAOA
SCHEMBL2141547 0.75 AHR (0.36) AHRGCKMAOA
SCHEMBL2139189 0.69 AHR (0.42) AHRGCKMAOAPDF
SCHEMBL2136387 0.67 AHR (0.42) AHRGCKMAOA

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 3039/4885GCK 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.