SCHEMBL12379317

SCHEMBL12379317

C=C(CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12)OC

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 20/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
SLC22A11 Q9NSA0 1/20 0.71
SLC2A9 Q9NRM0 3/20 0.62

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
SCHEMBL19867808 0.89 SLC22A12 (0.76) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL249022 0.88 SLC22A12 (0.78) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL8780267 0.88 SLC22A12 (0.80) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4735350 0.85 SLC22A12 (0.82) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL21164758 0.84 SLC22A12 (0.69) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL11915751 0.84 SLC22A12 (0.71) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL1299461 0.84 SLC22A12 (0.81) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
Lesinurad SCHEMBL842962 0.83 SLC22A12 (1.00) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
Lesinurad SCHEMBL29353441 0.83 SLC22A12 (1.00) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4735395 0.83 SLC22A12 (0.70) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003681-B2 2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid and methyl ester ARDEA BIOSCIENCES, INC. (US) 2011-08-23 US disclosed
US-20100081827-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER ARDEA BIOSCIENCES, INC. (US) 2010-04-01 US disclosed
US-20100069645-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER ARDEA BIOSCIENCES, INC. 2010-03-18 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 (2 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-20100069645-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER GRHPR, POLR2H, ME2 SLC22A12 1037/4885CYP2C9 927/4885CYP2C19 1109/4885
US-20100081827-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER GRHPR, POLR2H, DECR1 SLC22A12 1207/4885CYP2C9 840/4885CYP2C19 1020/4885

“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.