SCHEMBL3375807

SCHEMBL3375807

O=S(=O)(Nc1ccc(-c2cccc(OC(F)(F)F)c2)c(Cl)c1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.55
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
PIM1 P11309 5/20 0.40
IDH1 O75874 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
ACLY P53396 1/20 0.39
P2RX1 P51575 1/20 0.39
ABL1 P00519 1/20 0.39
CYP17A1 P05093 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MAP2K7 O14733 1/20 0.38
MAP2K4 P45985 1/20 0.38
MCHR1 Q99705 1/20 0.37
CTPS1 P17812 1/20 0.37

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
SCHEMBL3379334 0.88 KIF11 (0.46) DHODHDDB1CRBNIDH1ABL1
SCHEMBL3377794 0.84 DHODH (0.56) DHODHSLC22A12ABL1CYP17A1EPHX2
SCHEMBL3379969 0.84 KIF11 (0.49) DHODHPIM1IDH1SLC22A12ABL1
SCHEMBL3376000 0.77 PGR (0.46) CYP17A1
SCHEMBL13366565 0.76 DHODH (0.52) DHODHPIM1MCHR1
SCHEMBL3378723 0.76 KIT (0.45) EPHX2NR1H4MAP2K4
SCHEMBL24876636 0.73 LMNA (0.59) DHODHSLC22A12
SCHEMBL31679811 0.73 LMNA (0.59) DHODHSLC22A12
SCHEMBL3378867 0.72 KIF11 (0.52) ABL1CYP17A1
SCHEMBL3376629 0.71 KIF11 (0.54) SLC22A12ABL1CYP17A1

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 10 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
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNH2 DHODH 1286/4885DDB1 3728/4885CRBN 3777/4885

“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.