SCHEMBL3379986

SCHEMBL3379986

CC(C)(C)OC(=O)Cc1ccc(CNS(=O)(=O)Cc2ccc(-c3ccc(Oc4ccccc4)cc3)c(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
RORC P51449 1/20 0.39
NR1H2 P55055 1/20 0.38
BCL2L1 Q07817 2/20 0.37
MCL1 Q07820 2/20 0.37
BCL2 P10415 1/20 0.37
PTPN1 P18031 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MMP13 P45452 3/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL3376011 0.88 SRD5A2 (0.45) RORCBCL2L1MCL1ALDH1A1LTA4H
SCHEMBL3434108 0.82 SCN9A (0.33) CA12CA7CA14BCL2L1MCL1
SCHEMBL14732150 0.80 NR3C1 (0.38) RORCPTPN1MTNR1AMTNR1BLTA4H
SCHEMBL28553472 0.78 MTNR1A (0.51) RORCPTPN1MTNR1AMTNR1BALDH1A1
SCHEMBL3375787 0.74 ALDH1A1 (0.42) CA12CA1CA7CA14NR1H2
SCHEMBL3374025 0.73 PSEN1 (0.40) RORCNR1H2
SCHEMBL3378385 0.72 FABP4 (0.48) HTTPPARASRD5A2
SCHEMBL3376158 0.71 SCN9A (0.39) CA12CA1CA7CA14RORC
SCHEMBL3374058 0.70 ADAMTS4 (0.41) MCL1MMP13HSP90AA1HSP90AB1PGR
SCHEMBL3380135 0.69 SRD5A2 (0.57) CA1BCL2L1MCL1LTA4HEPHX2

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 3 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
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO 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 CA12 3353/4885CA1 1224/4885CA7 1605/4885

“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.