SCHEMBL6503082

SCHEMBL6503082

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1N(S)C(=O)N[C@@H](CO)[C@H](O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.42
ROCK1 Q13464 5/20 0.42
CTSA P10619 4/20 0.32
ALOX15 P16050 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
CNR2 P34972 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
UGCG Q16739 1/20 0.30

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
SCHEMBL6505072 0.87 ROCK2 (0.40) ROCK2ROCK1TP53MAPT
SCHEMBL6503078 0.80 ROCK2 (0.40) ROCK2ROCK1ALOX15MAPT
SCHEMBL6503948 0.80 ROCK2 (0.40) ROCK2ROCK1ALOX15MAPT
SCHEMBL6496206 0.80 TLR8 (0.35) ALOX15MAPT
SCHEMBL6495430 0.76 KMT2A (0.44) ROCK2ROCK1ALOX15TP53MAPT
SCHEMBL6502531 0.76 MEN1 (0.40) MAPT
SCHEMBL6493590 0.74 LMNA (0.42) TP53MAPT
Hydrochloric Acid SCHEMBL6494612 0.74 LMNA (0.41) TP53MAPT
SCHEMBL6494231 0.67 ALOX15 (0.36) ALOX15TP53MAPT
SCHEMBL6501121 0.67 LTB4R (0.37) ALOX15TP53MAPT

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-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US claimed
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US disclosed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 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-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors ALOX15, ALOX5, ALOX12 ROCK2 1398/4885ROCK1 1364/4885CTSA 1683/4885

“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.