SCHEMBL22087750

SCHEMBL22087750

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ccc3n2C)nc2cc(C(F)(F)F)ccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
AGPAT2 O15120 1/20 0.37
PDE2A O00408 2/20 0.37
KDM4E B2RXH2 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL29359764 0.88 S1PR1 (0.33) RORCTRPA1CNR2S1PR1LMNA
SCHEMBL19712047 0.88 S1PR1 (0.33) RORCTRPA1CNR2S1PR1LMNA
SCHEMBL20887325 0.85 KDM4E (0.35) RORCAGPAT2PDE2AKDM4EHTR3E
SCHEMBL19711919 0.85 POLB (0.42) TRPA1S1PR1MEN1KMT2APDE10A
SCHEMBL19712021 0.84 TRPA1 (0.32) TRPA1
SCHEMBL21363144 0.82 TRPA1 (0.32) TRPA1
SCHEMBL19711965 0.79 POLB (0.35) TRPA1
SCHEMBL21585727 0.78 POLB (0.33) TRPA1
SCHEMBL20781339 0.78 USP7 (0.40) PDE2AKDM4ETRPA1S1PR1
SCHEMBL20887319 0.78 POLB (0.38) MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655258-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2023-05-23 US disclosed
US-11655258-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2023-05-23 US disclosed
US-20200181172-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-11 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 (2 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-20200181172-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, BCHE RORC 3414/4885AGPAT2 128/4885PDE2A 279/4885
US-11655258-B2 Heterocycle derivatives as pesticides DDT, ACHE, BCHE RORC 3414/4885AGPAT2 128/4885PDE2A 279/4885

“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.