SCHEMBL3379969

SCHEMBL3379969

O=S(=O)(Nc1ccc(-c2cccc(OC(F)(F)F)c2)cc1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
CTPS1 P17812 3/20 0.46
SGK1 O00141 1/20 0.46
PTGES2 Q9H7Z7 2/20 0.45
PIM1 P11309 4/20 0.44
ABL1 P00519 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
IDH1 O75874 1/20 0.41
MAP2K4 P45985 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PLAU P00749 1/20 0.41
UCHL1 P09936 1/20 0.41
USP30 Q70CQ3 1/20 0.41
DHODH Q02127 1/20 0.41

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 0.84 DHODH (0.55) CTPS1PTGES2PIM1ABL1SLC22A12
SCHEMBL3379953 0.82 KIF11 (0.74) KIF11PTGES2ABL1
SCHEMBL3379334 0.75 KIF11 (0.46) KIF11ABL1IDH1MAP2K4DHODH
SCHEMBL3374882 0.74 PGR (0.55) SGK1UCHL1USP30
SCHEMBL3375684 0.73 ACLY (0.43) KIF11CTPS1PTGES2
SCHEMBL5840598 0.71 SLC13A5 (0.51) KIF11PTGES2DHODH
SCHEMBL1044062 0.69 CYP1A2 (0.51) PTGES2DHODH
SCHEMBL5544749 0.69 SLC13A5 (0.47) PTGES2DHODH
SCHEMBL1337217 0.69 TAAR1 (0.52) KIF11PTGES2DHODH
SCHEMBL5379608 0.69 ESR1 (0.55) PIM1ABL1DHODH

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 9 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
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 KIF11 3561/4885CTPS1 2247/4885SGK1 2304/4885

“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.