SCHEMBL20910131

SCHEMBL20910131

C=C(c1cccc(Br)n1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
P2RX7 Q99572 1/20 0.31
CTSA P10619 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ACMSD Q8TDX5 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13896497 0.77 ALDH1A1 (0.43) GRM5ALDH1A1HPGDCTSAKDM4E
SCHEMBL25412744 0.77 TSHR (0.39) ALDH1A1HPGDP2RX7CTSAKDM4E
SCHEMBL20910130 0.77 ALDH1A1 (0.45) GRM5ALDH1A1HPGDP2RX7CTSA
SCHEMBL29567310 0.77 ALDH1A1 (0.45) GRM5ALDH1A1HPGDP2RX7CTSA
SCHEMBL31543348 0.74 GRM5 (0.44) GRM5ALDH1A1HPGDCTSAKDM4E
SCHEMBL531659 0.74 GRM5 (0.44) GRM5ALDH1A1HPGDCTSAKDM4E
Trifluoroacetic Acid SCHEMBL13837126 0.72 ALDH1A1 (0.44) GRM5ALDH1A1HPGDP2RX7CTSA
SCHEMBL4897406 0.72 ALDH1A1 (0.48) GRM5ALDH1A1HPGDP2RX7CTSA
SCHEMBL9365129 0.71 ALDH1A1 (0.42) GRM5ALDH1A1HPGDCTSAKDM4E
SCHEMBL25324743 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260103464-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2026-04-16 US disclosed
US-12435083-B2 Cyclopropyl-(hetero)aryl-substituted ethylsulphonyl-pyridine derivatives BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2025-10-07 US disclosed
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 US disclosed
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 US disclosed
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 US disclosed
WO-2023036934-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYLPYRIDINE DERIVATIVES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2023-03-16 WO disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO 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 (3 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-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CYCS, CYP2E1, AHR GRM5 2900/4885ALDH1A1 637/4885HPGD 345/4885
US-12435083-B2 Cyclopropyl-(hetero)aryl-substituted ethylsulphonyl-pyridine derivatives CYCS, CYP2E1, CYP1A1 GRM5 3090/4885ALDH1A1 512/4885HPGD 384/4885
US-20260103464-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CBR3, CYCS, CBR1 GRM5 3390/4885ALDH1A1 2267/4885HPGD 3190/4885

“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.