SCHEMBL23209151

SCHEMBL23209151

N#CCC(=O)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.61
WNT3A P56704 3/20 0.61
SMYD3 Q9H7B4 5/20 0.44
MRGPRX4 Q96LA9 1/20 0.40
HDAC4 P56524 1/20 0.36
ATM Q13315 1/20 0.36
ROCK2 O75116 1/20 0.35
TAS2R8 Q9NYW2 1/20 0.35
DHODH Q02127 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
KIT P10721 1/20 0.34
BRAF P15056 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2379710 0.80 CTNNB1 (0.66) CTNNB1WNT3ASMYD3MRGPRX4ATM
SCHEMBL2358889 0.80 CTNNB1 (0.66) CTNNB1WNT3ASMYD3MRGPRX4HDAC4
SCHEMBL18641649 0.77 CTNNB1 (0.67) CTNNB1WNT3ASMYD3MRGPRX4HDAC4
SCHEMBL10407674 0.77 CTNNB1 (0.61) CTNNB1WNT3ASMYD3MRGPRX4HDAC4
SCHEMBL15979981 0.76 CTNNB1 (0.78) CTNNB1WNT3ASMYD3
SCHEMBL15969201 0.76 CTNNB1 (1.00) CTNNB1WNT3ASMYD3MRGPRX4
SCHEMBL3866171 0.75 CTNNB1 (0.59) CTNNB1WNT3ASMYD3MRGPRX4HDAC4
SCHEMBL351400 0.75 CTNNB1 (0.64) CTNNB1WNT3ASMYD3MRGPRX4HDAC4
SCHEMBL6440716 0.75 ATM (0.64) CTNNB1WNT3AATMHPGD
SCHEMBL170340 0.75 CTNNB1 (0.59) CTNNB1WNT3AATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929712-B Thienopyrimidinones as TRPA1 inhibitors 勃林格殷格翰国际有限公司 2024-07-23 CN disclosed
EP-4045509-A1 THIENOPYRIMIDONES AS TRPA1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2022-08-24 EP disclosed
CN-114929712-A Thienopyrimidinones as TRPA1 inhibitors 勃林格殷格翰国际有限公司 2022-08-19 CN disclosed
US-11136336-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-05 US disclosed
US-11136336-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-05 US disclosed
WO-2021074196-A1 THIENOPYRIMIDONES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-22 WO disclosed
WO-2021074196-A1 THIENOPYRIMIDONES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-22 WO disclosed
US-20210107918-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 US disclosed
US-20210107918-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 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-20210107918-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 CTNNB1 2844/4885WNT3A 4294/4885SMYD3 4815/4885
US-11136336-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 CTNNB1 2735/4885WNT3A 4313/4885SMYD3 4810/4885

“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.