SCHEMBL10211697

SCHEMBL10211697

CC(C)(C)c1csc(C(F)F)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL6984293 0.80 ALDH1A1 (0.35) GABRA1GABRB2
SCHEMBL21720113 0.70 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL50658 0.67 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL1336686 0.67
SCHEMBL10153919 0.67 DAO (0.38) GABRA1GABRB2
SCHEMBL8130441 0.67 KIF11 (0.33) GABRA1GABRB2
SCHEMBL19187341 0.65 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL21737225 0.65 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL5057445 0.65 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL16806316 0.65 DAO (0.37) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors ELI LILLY AND COMPANY 2009-03-12 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 (3 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-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA ACHE 2075/4885GABRA1 3643/4885GABRB2 2866/4885
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors PGR, NPSR1, PRLHR ACHE 2749/4885GABRA1 444/4885GABRB2 470/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA ACHE 2094/4885GABRA1 3653/4885GABRB2 2864/4885

“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.