SCHEMBL21190852

SCHEMBL21190852

CC1(C)OB(c2cc(S(C)(=O)=O)ccc2Nc2ccccc2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH3A1 P30838 3/20 0.37
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
CA9 Q16790 7/20 0.36
TOP2B Q02880 1/20 0.36
WNK1 Q9H4A3 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PTGS2 P35354 1/20 0.36
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL21190839 0.84 KEAP1 (0.44) MAPTCA1CA2CA9TOP2B
SCHEMBL21190847 0.81 BRD4 (0.42) MAPTPOLBTDP1CA1CA2
SCHEMBL29714934 0.80 NPSR1 (0.41) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL20829056 0.77 LPL (0.43) MAPTPOLBTDP1ALDH1A1PTGS2
SCHEMBL15552916 0.77 ALDH1A1 (0.48) ALDH3A1ALDH1A1PTGS2MEN1KMT2A
SCHEMBL22693876 0.76 ABCC1 (0.36) GSK3BMAPTPOLBTDP1ALDH1A1
SCHEMBL20829122 0.76 LIPG (0.51) CA1CA2CA9CA12CA3
SCHEMBL2947811 0.75 G6PD (0.37) TDP1CA1CA2CA9ALDH1A1
SCHEMBL22693819 0.75 CA1 (0.34) CA1CA2CA9CA12CA3
SCHEMBL21190754 0.74 PTGS2 (0.46) MAPTPTGS2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354371-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-12 US disclosed
WO-2019141131-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2019-07-25 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 (1 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-20200354371-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF BRD4, BRD1, BRD3 GSK3B 180/4885MAPT 484/4885POLB 455/4885

“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.