SCHEMBL18541985

SCHEMBL18541985

Cc1cc(S(C)(=O)=O)cc(I)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.41
ENPP2 Q13822 2/20 0.40
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
CYTH2 Q99418 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
ALB P02768 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 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
SCHEMBL16651363 0.91 TTR (0.48) TTRENPP2MEN1KMT2ALMNA
SCHEMBL1577443 0.87 CA1 (0.48) TTRENPP2MEN1KMT2AMAPT
SCHEMBL17213570 0.79 GAA (0.54) ENPP2MEN1KMT2AMAPTKDM4E
SCHEMBL20917615 0.78 PTGS2 (0.40) ENPP2MEN1KMT2AMAPTKDM4E
SCHEMBL26091408 0.78 ENPP2 (0.39) ENPP2MEN1KMT2AMAPTKDM4E
SCHEMBL14104505 0.77 LMNA (0.49) TTRENPP2MEN1KMT2AMAPT
SCHEMBL18646039 0.75 CYP1A2 (0.55) MEN1KMT2AMAPTHTTCA1
SCHEMBL3215571 0.73 KDM4E (0.38) MEN1KMT2AKDM4ELMNACA1
SCHEMBL1649638 0.73 ING2 (0.52) TTRMEN1KMT2AKDM4ELMNA
SCHEMBL1368797 0.72 PTGS2 (0.42) ENPP2LMNACA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807982-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-10-20 US disclosed
US-20200071332-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-03-05 US disclosed
US-20180134710-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-17 US disclosed
US-9908885-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-20170050968-A1 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. 2017-02-23 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-20200071332-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 TTR 4706/4885ENPP2 1959/4885MEN1 3343/4885
US-20170050968-A1 BROMODOMAIN INHIBITOR BRD3, BRPF3, EP300 TTR 4732/4885ENPP2 2040/4885MEN1 3336/4885
US-10807982-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 TTR 4706/4885ENPP2 1959/4885MEN1 3343/4885
US-20180134710-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 TTR 4706/4885ENPP2 1959/4885MEN1 3343/4885

“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.