SCHEMBL23237367

SCHEMBL23237367

N#CC[C@H](O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.47
KDM4E B2RXH2 2/20 0.42
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
ALPG P10696 2/20 0.42
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
IGF1R P08069 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 2/20 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
SCHEMBL7933326 1.00 AOC3 (0.47) AOC3KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL4977775 0.79 ESR1 (0.42) KDM4ELMNASMN1; SMN2ALDH1A1ESR1
SCHEMBL18704051 0.79 ESR1 (0.38) AOC3KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL18704243 0.79 AOC3 (0.47) AOC3LMNASMN1; SMN2ALDH1A1ESR1
SCHEMBL23239240 0.79 CES2 (0.38) ESR1ESR2
SCHEMBL23209157 0.79 AOC3 (0.47) AOC3LMNASMN1; SMN2ALDH1A1ESR1
SCHEMBL24681202 0.79 ESR1 (0.38) KDM4ELMNASMN1; SMN2ALDH1A1ESR1
SCHEMBL23237307 0.79 ESR1 (0.42) KDM4ELMNASMN1; SMN2ALDH1A1ESR1
SCHEMBL4977780 0.79 ESR1 (0.42) KDM4ELMNASMN1; SMN2ALDH1A1ESR1
SCHEMBL2547851 0.79 IGF1R (0.38) ESR1ESR2IGF1RMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340590-A1 3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-10-27 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
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 (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-20210107918-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 AOC3 1097/4885KDM4E 3563/4885LMNA 4265/4885
US-20220340590-A1 3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV3 AOC3 1130/4885KDM4E 4490/4885LMNA 3222/4885
US-11136336-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 AOC3 1163/4885KDM4E 3740/4885LMNA 4151/4885

“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.