SCHEMBL24985261

SCHEMBL24985261

COC(=O)c1nc(-c2ccc(S(C)(=O)=O)cc2F)c(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 0.41
▸ PTGS1 P23219 2/20 0.40
▸ LMNA P02545 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL30185266 1.00 PTGS2 (0.41) PTGS2PTGS1LMNAKDM4EGAA
SCHEMBL30185296 0.85 PTGS2 (0.48) PTGS2PTGS1KDM4ENPC1ALDH1A1
SCHEMBL24986855 0.85 PTGS2 (0.48) PTGS2PTGS1KDM4ENPC1ALDH1A1
SCHEMBL24985231 0.85 PTGS1 (0.36) PTGS2PTGS1KDM4EALDH1A1
SCHEMBL24984524 0.84 ESR1 (0.39) KDM4EALDH1A1
SCHEMBL22366962 0.83 KIT (0.42) KDM4EGAAALDH1A1
SCHEMBL30185221 0.83 KIT (0.42) KDM4EGAAALDH1A1
SCHEMBL22366798 0.83 ALDH1A1 (0.38) KDM4EGAANPSR1ALDH1A1
SCHEMBL24984549 0.81 CTSA (0.47) NPSR1
SCHEMBL30185243 0.81 CTSA (0.47) NPSR1

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 2889/4885PTGS1 3466/4885LMNA 4716/4885

“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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