SCHEMBL2011316

SCHEMBL2011316

Cc1ccc(C#N)c(NS(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.52
SLC22A12 Q96S37 7/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4651332 0.84 HSD17B2 (0.66) CA1CA2CA4CA7CA9
SCHEMBL12768024 0.82 FFAR4 (0.61) FFAR4CA1CA2CA4CA7
SCHEMBL7579899 0.81 CA1 (0.60) FFAR4CA1CA2CA4CA7
SCHEMBL4649684 0.81 SLC22A12 (0.54) FFAR4SLC22A12KMT2A
SCHEMBL22654320 0.79 ALDH1A1 (0.54) FFAR4CA1CA2CA4CA7
SCHEMBL30949870 0.79 ALDH1A1 (0.54) FFAR4CA1CA2CA4CA7
SCHEMBL29083820 0.78 CA1 (0.50) FFAR4CA1CA2CA4CA7
SCHEMBL1626061 0.77 SLC22A12 (0.44) SLC22A12CA1CA2CA4CA7
SCHEMBL6553546 0.77 LMNA (0.64) SLC22A12CA1CA2CA4CA7
SCHEMBL29083812 0.77 CA2 (0.63) FFAR4CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960435-B2 Anti-cancer agents and androgen inhibition activity compound UNIVERSITY OF MARYLAND, BALTIMORE (US) 2011-06-14 US disclosed
US-20100113600-A1 ANTI-CANCER AGENTS AND ANDROGEN INHIBITION ACTIVITY COMPOUND UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-05-06 US disclosed
WO-2008076918-A9 ANTI-CANCER AGENTS AND ANDROGEN INHIBITION ACTIVITY COMPOUND UNIV MARYLAND (US) 2008-08-07 WO disclosed
WO-2008076918-A2 ANTI-CANCER AGENTS AND ANDROGEN INHIBITION ACTIVITY COMPOUND UNIVERSITY OF MARYLAND, BALTIMORE (US) 2008-06-26 WO 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-20100113600-A1 ANTI-CANCER AGENTS AND ANDROGEN INHIBITION ACTIVITY COMPOUND AR, HTR3D, NR5A1 FFAR4 314/4885SLC22A12 1759/4885CA1 2862/4885

“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.