SCHEMBL19320839

SCHEMBL19320839

COCc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 3/20 0.57
▸ STK39 Q9UEW8 12/20 0.57
▸ PTGS1 P23219 1/20 0.49
▸ TBXAS1 P24557 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ MAPK14 Q16539 1/20 0.49
▸ PARG Q86W56 3/20 0.48

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
SCHEMBL19326163 0.88 STK39 (0.57) ACLYSTK39PTGS1TBXAS1MAPK1
SCHEMBL30211338 0.75 STK39 (0.64) ACLYSTK39PARG
SCHEMBL2167442 0.75 STK39 (0.64) ACLYSTK39PARG
SCHEMBL2168030 0.74 STK39 (0.72) ACLYSTK39PARG
SCHEMBL30887953 0.74 STK39 (0.72) ACLYSTK39PARG
SCHEMBL28392557 0.74 HSPA5 (0.64) ACLYSTK39PTGS1TBXAS1MAPK1
SCHEMBL21930912 0.73 ACLY (1.00) ACLYSTK39PARG
SCHEMBL9868077 0.73 STK39 (0.77) ACLYSTK39PTGS1TBXAS1MAPK1
Hydrochloric Acid SCHEMBL11777767 0.72 STK39 (0.75) ACLYSTK39PTGS1TBXAS1MAPK1
SCHEMBL8173356 0.71 ALDH1A1 (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 — — 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-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR CPN1, HAT1, PRSS1 ACLY 2540/4885STK39 3161/4885PTGS1 2760/4885

“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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