SCHEMBL3379334

SCHEMBL3379334

O=S(=O)(Nc1ccc(-c2ccc(OC(F)(F)F)cc2)c(Cl)c1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
IDH1 O75874 1/20 0.46
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
GCGR P47871 1/20 0.41
MARS1 P56192 1/20 0.41
DHODH Q02127 1/20 0.41
CYP17A1 P05093 2/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
ABL1 P00519 3/20 0.40
FFAR4 Q5NUL3 2/20 0.39
KIT P10721 1/20 0.38
BCR P11274 1/20 0.38
MAP2K4 P45985 1/20 0.37
LIPE Q05469 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
SCHEMBL3375807 0.88 DHODH (0.55) IDH1EPHX2NR1H4DHODHCYP17A1
SCHEMBL3379345 0.83 KIF11 (0.68) KIF11EPHX2NR1H4CYP17A1ABL1
SCHEMBL3376000 0.82 PGR (0.46) CYP17A1
SCHEMBL3378723 0.78 KIT (0.45) EPHX2NR1H4KITMAP2K4
SCHEMBL3379969 0.75 KIF11 (0.49) KIF11IDH1DHODHABL1MAP2K4
SCHEMBL31679923 0.71 LMNA (0.62) IDH1
SCHEMBL3377794 0.71 DHODH (0.56) KIF11EPHX2NR1H4DHODHCYP17A1
SCHEMBL3378630 0.70 KIF11 (0.67) KIF11EPHX2NR1H4CYP17A1ABL1
SCHEMBL3375773 0.69 KIF11 (0.70) KIF11EPHX2NR1H4CYP17A1ABL1
SCHEMBL26536689 0.69 FFAR4 (0.63) EPHX2NR1H4FFAR4

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 5 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-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 KIF11 3561/4885IDH1 302/4885EPHX2 1898/4885

“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.