SCHEMBL16535035

SCHEMBL16535035

Cc1ccc(S(=O)(=O)n2c(-c3ccc(C=O)nc3)cc3c(Cl)ccnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.35
LMNA P02545 2/20 0.35
CDC7 O00311 1/20 0.33
PIM1 P11309 1/20 0.33
CDK9 P50750 1/20 0.33
HSD11B1 P28845 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
COMT P21964 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
PTGS2 P35354 1/20 0.32
LATS1 O95835 1/20 0.32

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
SCHEMBL16546222 0.84 ACLY (0.43) PTGDR2ALDH1A1NPSR1KDM4EHTT
SCHEMBL16546223 0.83 PTGDR2 (0.40) PTGDR2ALDH1A1NPSR1KDM4EHTT
SCHEMBL15586784 0.82 PTGDR2 (0.37) PTGDR2ALDH1A1NPSR1KDM4EHTT
SCHEMBL1777486 0.81 HSD11B1 (0.41) PTGDR2ALDH1A1NPSR1KDM4EHTT
SCHEMBL29772856 0.80 KDM4E (0.39) PTGDR2ALDH1A1NPSR1KDM4EHTT
SCHEMBL15586892 0.79 CDC7 (0.48) ALDH1A1NPSR1KDM4EHTTCDC7
SCHEMBL15586848 0.79 CDC7 (0.36) PTGDR2ALDH1A1NPSR1KDM4EHTT
SCHEMBL30726581 0.78 PTGDR2 (0.39) PTGDR2ALDH1A1NPSR1KDM4EHTT
SCHEMBL21490844 0.78 PTGDR2 (0.46) PTGDR2ALDH1A1NPSR1KDM4EHTT
SCHEMBL15586649 0.77 ENPP3 (0.39) PTGDR2ALDH1A1KDM4EHTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838898-B1 SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-01-18 EP disclosed
EP-2838898-B1 SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-01-18 EP disclosed
US-9233983-B2 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2016-01-12 US disclosed
US-9233983-B2 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2016-01-12 US disclosed
US-20150064196-A1 Substituted Hetero-Bicyclic Compounds, Compositions and Medicinal Applications Thereof IMPETIS BIOSCIENCES LIMITED (IN) 2015-03-05 US disclosed
US-20150064196-A1 Substituted Hetero-Bicyclic Compounds, Compositions and Medicinal Applications Thereof IMPETIS BIOSCIENCES LIMITED (IN) 2015-03-05 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 (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-20150064196-A1 Substituted Hetero-Bicyclic Compounds, Compositions and Medicinal Applications Thereof BTK, MALT1, LCK PTGDR2 1508/4885ALDH1A1 3997/4885NPSR1 2139/4885

“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.