SCHEMBL19326163

SCHEMBL19326163

NOCc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STK39 Q9UEW8 13/20 0.57
▸ ACLY P53396 2/20 0.53
▸ 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
SCHEMBL19320839 0.88 ACLY (0.57) STK39ACLYPTGS1TBXAS1MAPK1
SCHEMBL30211338 0.75 STK39 (0.64) STK39ACLYPARG
SCHEMBL2167442 0.75 STK39 (0.64) STK39ACLYPARG
SCHEMBL30887953 0.74 STK39 (0.72) STK39ACLYPARG
SCHEMBL2168030 0.74 STK39 (0.72) STK39ACLYPARG
SCHEMBL28392557 0.74 HSPA5 (0.64) STK39ACLYPTGS1TBXAS1MAPK1
SCHEMBL1715765 0.73 HDAC3 (0.56) MAPK1
SCHEMBL9868077 0.73 STK39 (0.77) STK39ACLYPTGS1TBXAS1MAPK1
SCHEMBL16138730 0.72 STK39 (0.63) STK39ACLYPTGS1TBXAS1MAPK1
Hydrochloric Acid SCHEMBL11777767 0.72 STK39 (0.75) STK39ACLYPTGS1TBXAS1MAPK1

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 STK39 3161/4885ACLY 2540/4885PTGS1 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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