SCHEMBL3375684

SCHEMBL3375684

O=S(=O)(Nc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1OC(F)(F)F)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.43
SCN9A Q15858 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.42
KIF11 P52732 2/20 0.39
MRGPRX1 Q96LB2 6/20 0.39
CTPS1 P17812 2/20 0.38
CKS1B P61024 1/20 0.37
SKP2 Q13309 1/20 0.37
PGR P06401 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
IGF2BP2 Q9Y6M1 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
SCHEMBL3374335 0.86 KIF11 (0.51) ACLYPTGES2KIF11MRGPRX1PGR
SCHEMBL3377038 0.78 ACLY (0.60) ACLYSCN9AMRGPRX1
SCHEMBL3375824 0.77 ACLY (0.45) ACLYSCN9AKIF11MRGPRX1CKS1B
SCHEMBL3378469 0.76 ACLY (0.51) ACLYSCN9AMRGPRX1
SCHEMBL3374882 0.75 PGR (0.55) SCN9APGR
SCHEMBL3379317 0.74 KIF11 (0.65) KIF11PGRPTGS2
SCHEMBL3379969 0.73 KIF11 (0.49) PTGES2KIF11CTPS1
SCHEMBL3376638 0.72 PTGES2 (0.50) PTGES2KIF11PGR
SCHEMBL387133 0.70 DHODH (0.42) KIF11CTPS1
SCHEMBL3376561 0.69 KIF11 (0.61) KIF11PGR

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 ACLY 2299/4885SCN9A 70/4885PTGES2 898/4885

“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.