SCHEMBL24985197

SCHEMBL24985197

COC(=O)c1nc(-c2cc(F)c(C(F)(F)F)cc2F)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.41
ALPL P05186 2/20 0.39
TRPV3 Q8NET8 1/20 0.38
MAPT P10636 1/20 0.37
CFTR P13569 1/20 0.37
PDE2A O00408 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDR P35968 2/20 0.36
PDGFRB P09619 1/20 0.36
SCN9A Q15858 3/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
RCE1 Q9Y256 1/20 0.36
DHODH Q02127 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
EIF4E P06730 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL30185096 1.00 NOTUM (0.41) NOTUMALPLTRPV3MAPTCFTR
SCHEMBL24984537 0.93 ALPL (0.44) NOTUMALPLMAPTCFTRPDE2A
SCHEMBL30185247 0.93 ALPL (0.44) NOTUMALPLMAPTCFTRPDE2A
SCHEMBL30185167 0.91 NOTUM (0.40) NOTUMALPLTRPV3CFTRALDH1A1
SCHEMBL24987051 0.91 NOTUM (0.40) NOTUMALPLTRPV3CFTRALDH1A1
SCHEMBL24986683 0.90 MAPT (0.41) NOTUMALPLMAPTCFTRSCN9A
SCHEMBL30185256 0.90 MAPT (0.41) NOTUMALPLMAPTCFTRSCN9A
SCHEMBL24987946 0.86 CYP11B2 (0.47) NOTUMTRPV3MAPTKDM4EPKM
SCHEMBL30185108 0.86 CYP11B2 (0.47) NOTUMTRPV3MAPTKDM4EPKM
SCHEMBL24984999 0.83 MPL (0.42) ALPLMAPTCFTRKDM4EMRGPRX4

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 NOTUM 993/4885ALPL 2550/4885TRPV3 3090/4885

“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.