SCHEMBL3377549

SCHEMBL3377549

Cc1cc(-c2ccc(Oc3ccccc3Cl)cc2)c(Cl)cc1N(CC(=O)O)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
KEAP1 Q14145 3/20 0.43
NFE2L2 Q16236 3/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3377561 0.92 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL3379807 0.78 PTGES (0.52) SMN1; SMN2ALDH1A1LMNALPAR1LPAR5
SCHEMBL3377553 0.72 SMN1; SMN2 (0.49) SMN1; SMN2NPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL3377212 0.72 SMN1; SMN2 (0.71) SMN1; SMN2NPSR1GAAHTTKEAP1
SCHEMBL18301543 0.70 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1GAAHTTKEAP1
SCHEMBL3377557 0.67 SMN1; SMN2 (0.49) SMN1; SMN2NPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL3377298 0.64 PGR (0.50) SMN1; SMN2CYP3A4CYP2C9MAPTLMNA
SCHEMBL5342714 0.63 SMN1; SMN2 (0.56) SMN1; SMN2GAAHTTKEAP1NFE2L2
SCHEMBL680618 0.63 MAPK14 (0.54) LMNALPAR1LPAR5MEN1KMT2A
SCHEMBL11511159 0.62 MAPT (0.60) MAPTLMNALPAR1LPAR5MEN1

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 2 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 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 SMN1; SMN2 1551/4885NPSR1 1508/4885CYP3A4 1597/4885

“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.