SCHEMBL1598549

SCHEMBL1598549

CCCCOI(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.47
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ TSHR P16473 4/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MLNR O43193 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 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
SCHEMBL2038141 0.92 LTA4H (0.46) LTA4HTSHRALDH1A1CYP3A4MAPK1
Trifluoroacetic Acid SCHEMBL10588931 0.85 TSHR (0.41) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
Benzene SCHEMBL28132981 0.69 LTA4H (0.87) LTA4HCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1331014 0.69 LTA4H (0.87) LTA4HCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL36192 0.69 LTA4H (0.87) LTA4HCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28386097 0.67 LTA4H (0.83) LTA4HCYP1A2CYP2C9CYP2C19ALDH1A1
Water SCHEMBL27940226 0.67 LTA4H (0.83) LTA4HCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL5487251 0.67 LTA4H (0.38) LTA4HTSHRTDP1TP53
SCHEMBL22319104 0.67 LTA4H (0.83) LTA4HCYP1A2CYP2C9CYP2C19ALDH1A1
Biphenyl SCHEMBL15361769 0.67 LTA4H (0.52) LTA4HCYP1A2CYP2C9CYP2C19TSHR

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-20120232285-A1 Sulfonyl-1,2,4-triazole salts UNIVERSITE DE MONTREAL (CA) 2012-09-13 — — US disclosed
US-20110178306-A1 Sulphonyl-1,2,4-Triazole Salts PHOSTECH LITHIUM INC. (CA) 2011-07-21 — — US disclosed
US-7919629-B2 Sulphonyl-1,2,4-triazole salts PHOSTECH LITHIUM INC. (CA) 2011-04-05 — — US disclosed
US-20090292105-A1 SULPHONYL-1,2,4-TRIAZOLE SALTS PHOSTECH LITHIUM INC. (CA) 2009-11-26 — — US disclosed
WO-2007068822-A2 SULPHONYL-1,2,4-TRIAZOLE SALTS PHOSTECH LITHIUM INC. (CA) 2007-06-21 — — WO 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 (3 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-20110178306-A1 Sulphonyl-1,2,4-Triazole Salts TST, STS, SQOR LTA4H 4083/4885CYP1A2 432/4885CYP2C9 118/4885
US-20090292105-A1 SULPHONYL-1,2,4-TRIAZOLE SALTS TST, STS, SQOR LTA4H 4083/4885CYP1A2 432/4885CYP2C9 118/4885
US-20120232285-A1 Sulfonyl-1,2,4-triazole salts STS, TST, FIS1 LTA4H 4562/4885CYP1A2 740/4885CYP2C9 341/4885

“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.

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