SCHEMBL24985545

SCHEMBL24985545

Cc1cc(C(F)(F)F)ccc1-c1nc(C(=O)O)c(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ CTSA P10619 1/20 0.39
▸ APP P05067 1/20 0.39
▸ DHODH Q02127 3/20 0.38
▸ SORT1 Q99523 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ EIF4E P06730 2/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ MRGPRX4 Q96LA9 2/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ RET P07949 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ NTRK3 Q16288 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
SCHEMBL30185097 1.00 PIN1 (0.40) PIN1HSD11B1CTSAAPPDHODH
SCHEMBL22366919 0.91 NPSR1 (0.44) PIN1HSD11B1CTSADHODHSORT1
SCHEMBL30185186 0.91 NPSR1 (0.44) PIN1HSD11B1CTSADHODHSORT1
SCHEMBL24985105 0.91 CTSA (0.43) PIN1HSD11B1CTSAAPPDHODH
SCHEMBL30185281 0.91 CTSA (0.43) PIN1HSD11B1CTSAAPPDHODH
SCHEMBL24985646 0.88 CTSA (0.44) CTSAHPGD
SCHEMBL30185289 0.88 CTSA (0.44) CTSAHPGD
SCHEMBL24985580 0.86 MCL1 (0.41) HSD11B1CTSANPSR1TRPV1MRGPRX4
SCHEMBL30185153 0.86 MCL1 (0.41) HSD11B1CTSANPSR1TRPV1MRGPRX4
SCHEMBL22366934 0.79 NPSR1 (0.43) HSD11B1CTSANPSR1MRGPRX4

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 PIN1 544/4885HSD11B1 3958/4885CTSA 4611/4885

“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.

Send feedback