SCHEMBL20964170

SCHEMBL20964170

CCOC(=O)CC(C)c1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADORA2B P29275 3/20 0.39
TSHR P16473 1/20 0.38
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL6715921 0.84 CHRNB2 (0.42) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5929587 0.84 CHRNB2 (0.42) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6384665 0.79 ALOX5 (0.45) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5199435 0.78 FFAR1 (0.47) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23027267 0.77 LTB4R (0.54) ALDH1A1KDM4ECYP2C19TSHRMEN1
SCHEMBL12883164 0.77 ACHE (0.59) ALDH1A1KDM4EHTTTSHRGAA
SCHEMBL563306 0.77 LTB4R (0.54) ALDH1A1KDM4ECYP2C19TSHRMEN1
SCHEMBL21199753 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EHTTTSHRGAA
SCHEMBL8178062 0.77 CHRNB2 (0.46) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18734631 0.77 CHRNB2 (0.46) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4

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-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-12-08 US disclosed
US-10894033-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2021-01-19 US disclosed
US-20200323819-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-10-15 US disclosed
US-20190125722-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2019-05-02 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 (4 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-20190125722-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT ALOX5 621/4885CHRNB2 443/4885CHRNB4 540/4885
US-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT ALOX5 621/4885CHRNB2 443/4885CHRNB4 540/4885
US-20200323819-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT ALOX5 621/4885CHRNB2 443/4885CHRNB4 540/4885
US-10894033-B2 Multicyclic compounds and methods of use thereof GRIN2C, NLN, COMT ALOX5 621/4885CHRNB2 443/4885CHRNB4 540/4885

“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.