SCHEMBL3374830

SCHEMBL3374830

CC(C)Oc1ccc(-c2ccc(NS(=O)(=O)C3CC3)c(C#N)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.40
S1PR1 P21453 3/20 0.40
CTPS1 P17812 4/20 0.38
SCN9A Q15858 3/20 0.38
LRRK2 Q5S007 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ACLY P53396 1/20 0.37
FDPS P14324 1/20 0.35
GCK P35557 1/20 0.35
TRIM24 O15164 1/20 0.35
EGLN2 Q96KS0 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
SCHEMBL3375824 0.83 ACLY (0.45) KIF11MRGPRX1SCN9AACLYTRIM24
SCHEMBL3374824 0.74 KDM1A (0.47) MRGPRX1CTPS1ACLY
SCHEMBL13337359 0.72 KIF11 (0.36) KIF11MRGPRX1ACLYEGLN2
SCHEMBL3374290 0.70 ACACB (0.45) MRGPRX1CTPS1
SCHEMBL15952587 0.69 SLC22A12 (0.48) MRGPRX1
SCHEMBL3379326 0.68 EPHX2 (0.46) KIF11MAPTSCN9AFDPS
SCHEMBL141942 0.68 P2RX3 (0.42) POLBMAPTS1PR1SCN9ALRRK2
SCHEMBL31402936 0.65 CYP11B1 (0.40) CTPS1CYP11B1CYP11B2EGLN2
SCHEMBL4661073 0.64 KIF11 (0.76) KIF11
SCHEMBL23014657 0.63 PGAM1 (0.46) MRGPRX1ACLY

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 6 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
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

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 3561/4885POLB 4672/4885MAPT 3407/4885

“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.