SCHEMBL3376848

SCHEMBL3376848

CC(C)(C)OC(=O)c1ccc(CNS(=O)(=O)Cc2cccc(-c3ccc(C(F)(F)F)c(F)c3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.50
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 3/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA7 P43166 1/20 0.40
GALR3 O60755 1/20 0.39
RXRA P19793 2/20 0.39
RORC P51449 2/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
F2 P00734 2/20 0.37
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
TMPRSS6 Q8IU80 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL3378922 0.86 KIF11 (0.56) KIF11GALR3RORC
SCHEMBL3376158 0.72 SCN9A (0.39) CA12CA1CA14CA7RORC
SCHEMBL28946880 0.71 KIF11 (0.53) KIF11CA12CA1CA14LMNA
SCHEMBL30231213 0.71 KIF11 (0.53) KIF11CA12CA1CA14LMNA
SCHEMBL4618950 0.71 SFRP1 (0.47) NR1H2LMNAMAPTF2TMPRSS6
SCHEMBL18015900 0.68 KIF11 (0.55) KIF11
SCHEMBL3375787 0.68 ALDH1A1 (0.42) NR1H2CA12CA1CA14CA7
SCHEMBL18608496 0.67 RXRA (0.53) KIF11NR1H2NR1H3CA12CA1
SCHEMBL18014710 0.66 KIF11 (0.53) KIF11
SCHEMBL1856705 0.66 S1PR1 (0.50) NR1H2NR1H3CA12CA1CA14

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
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US claimed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed

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-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNH2 KIF11 3561/4885NR1H2 1687/4885NR1H3 2541/4885

“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.