SCHEMBL30185201

SCHEMBL30185201

COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2C)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.44
TRPV1 Q8NER1 2/20 0.40
MAPT P10636 2/20 0.39
CTSA P10619 3/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 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
SCHEMBL24986738 1.00 CFTR (0.44) CFTRTRPV1MAPTCTSAPTGDR2
SCHEMBL24985767 0.92 CFTR (0.44) CFTRMAPTCTSAMEN1KMT2A
SCHEMBL30185205 0.92 CFTR (0.44) CFTRMAPTCTSAMEN1KMT2A
SCHEMBL30185180 0.90 CRHR1 (0.47)
SCHEMBL24986698 0.90 CRHR1 (0.47)
SCHEMBL24985754 0.89 NPSR1 (0.43) CFTRMAPTCTSA
SCHEMBL30185310 0.89 NPSR1 (0.43) CFTRMAPTCTSA
SCHEMBL24987953 0.89 CFTR (0.41) CFTRMAPTCTSAMEN1KMT2A
SCHEMBL30185274 0.89 CFTR (0.41) CFTRMAPTCTSAMEN1KMT2A
SCHEMBL24985580 0.89 MCL1 (0.41) CFTRTRPV1MAPTCTSANTRK1

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 CFTR 4476/4885TRPV1 3002/4885MAPT 3017/4885

“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.