SCHEMBL24984525

SCHEMBL24984525

COc1cc(C(F)(F)F)ccc1-c1nc(C(=O)OCc2ccccc2)c(Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 4/20 0.46
▸ PTGDR2 Q9Y5Y4 10/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ TBXA2R P21731 2/20 0.45
▸ PTGIR P43119 2/20 0.45
▸ PTGDR Q13258 2/20 0.45
▸ MRGPRX4 Q96LA9 4/20 0.43
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42

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
SCHEMBL30185099 1.00 CTSA (0.46) CTSAPTGDR2CYP3A4CYP2C9TBXA2R
SCHEMBL24985107 0.85 CRHR1 (0.44) CTSACYP3A4CYP2C9
SCHEMBL30185197 0.85 CRHR1 (0.44) CTSACYP3A4CYP2C9
SCHEMBL24985646 0.84 CTSA (0.44) CTSACYP3A4CYP2C9
SCHEMBL30185289 0.84 CTSA (0.44) CTSACYP3A4CYP2C9
SCHEMBL24984492 0.79 CTSA (0.43) CTSAPTGDR2CYP3A4CYP2C9MRGPRX4
SCHEMBL30185107 0.79 CTSA (0.43) CTSAPTGDR2CYP3A4CYP2C9MRGPRX4
SCHEMBL22366934 0.76 NPSR1 (0.43) CTSACYP3A4CYP2C9MRGPRX4
SCHEMBL24984549 0.76 CTSA (0.47) CTSACYP3A4CYP2C9MRGPRX4
SCHEMBL24985580 0.76 MCL1 (0.41) CTSACYP3A4CYP2C9MRGPRX4

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 CTSA 4611/4885PTGDR2 2124/4885CYP3A4 239/4885

“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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