SCHEMBL30185243

SCHEMBL30185243

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 4/20 0.47
▸ HSD11B1 P28845 1/20 0.43
▸ CFTR P13569 1/20 0.41
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ APP P05067 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ AGPAT2 O15120 2/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ POLB P06746 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
SCHEMBL24984549 1.00 CTSA (0.47) CTSAHSD11B1CFTRMRGPRX4MCL1
SCHEMBL30185153 0.93 MCL1 (0.41) CTSAHSD11B1CFTRMRGPRX4MCL1
SCHEMBL22366934 0.93 NPSR1 (0.43) CTSAHSD11B1CFTRMRGPRX4MCL1
SCHEMBL24985580 0.93 MCL1 (0.41) CTSAHSD11B1CFTRMRGPRX4MCL1
SCHEMBL24985537 0.93 CTSA (0.47) CTSAHSD11B1CFTRMRGPRX4MCL1
SCHEMBL30185257 0.93 NPSR1 (0.43) CTSAHSD11B1CFTRMRGPRX4MCL1
SCHEMBL30185312 0.93 CTSA (0.47) CTSAHSD11B1CFTRMRGPRX4MCL1
SCHEMBL24985107 0.91 CRHR1 (0.44) CTSAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30185197 0.91 CRHR1 (0.44) CTSAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL24985767 0.89 CFTR (0.44) CTSAHSD11B1CFTRAPPMAPT

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 4611/4885HSD11B1 3958/4885CFTR 4476/4885

“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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