SCHEMBL30185296

SCHEMBL30185296

COC(=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)c(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 19/20 0.48
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PTGS1 P23219 1/20 0.41

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
SCHEMBL24986855 1.00 PTGS2 (0.48) PTGS2KDM4ENPC1ALDH1A1GLA
SCHEMBL30185124 0.87 SMN1; SMN2 (0.46) KDM4ENPC1ALDH1A1RAB9A
SCHEMBL24985136 0.87 SMN1; SMN2 (0.46) KDM4ENPC1ALDH1A1RAB9A
SCHEMBL24985134 0.87 SMN1; SMN2 (0.47) KDM4ENPC1ALDH1A1RAB9A
SCHEMBL24985591 0.87 KDM4E (0.37) PTGS2KDM4EALDH1A1RAB9A
SCHEMBL30185230 0.87 KDM4E (0.37) PTGS2KDM4EALDH1A1RAB9A
SCHEMBL30185266 0.85 PTGS2 (0.41) PTGS2KDM4ENPC1ALDH1A1PTGS1
SCHEMBL24985261 0.85 PTGS2 (0.41) PTGS2KDM4ENPC1ALDH1A1PTGS1
SCHEMBL24987028 0.85 KDM4E (0.46) KDM4ENPC1ALDH1A1RAB9A
SCHEMBL24984501 0.85 KDM4E (0.46) KDM4ENPC1ALDH1A1RAB9A

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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT PTGS2 2889/4885KDM4E 1143/4885NPC1 4872/4885

“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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