SCHEMBL17523325

SCHEMBL17523325

C#CC(C)(O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
ALDH1A1 P00352 3/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
USP2 O75604 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
NOD2 Q9HC29 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 3/20 0.54
CA1 P00915 2/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA12 O43570 2/20 0.52
MCOLN3 Q8TDD5 1/20 0.52

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
SCHEMBL23649332 0.87 LMNA (0.62) LMNAALDH1A1CYP2C9CYP2C19USP2
SCHEMBL29824516 0.87 LMNA (0.62) LMNAALDH1A1CYP2C9CYP2C19USP2
SCHEMBL28405860 0.85 LMNA (0.50) LMNAALDH1A1CYP2C9CYP2C19USP2
SCHEMBL28405862 0.83 LMNA (0.54) LMNAALDH1A1CYP2C9CYP2C19USP2
SCHEMBL17521637 0.83 LMNA (0.54) LMNAALDH1A1CYP2C9CYP2C19USP2
SCHEMBL28984416 0.82 LMNA (0.56) LMNAALDH1A1CYP2C9CYP2C19USP2
SCHEMBL17523189 0.80 LMNA (0.50) LMNAALDH1A1CYP2C9CYP2C19USP2
SCHEMBL17521640 0.79 LMNA (0.49) LMNAALDH1A1CYP2C9CYP2C19USP2
SCHEMBL2068526 0.78 LMNA (0.82) LMNAALDH1A1CYP2C9CYP2C19USP2
SCHEMBL28958937 0.78 LMNA (0.51) LMNAALDH1A1CYP2C9CYP2C19USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002318-A1 SYNTHESIS OF CYCLOPROPYL INDOLES AND CYCLOHEPTA[B]INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHOD OF USING THEM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-04 US disclosed
WO-2016090094-A1 SYNTHESIS OF CYCLOPROPYL INDOLES AND CYCLOHEPTA[B]INDOLES, PHARMECEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS AND USING THEM WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-06-09 WO disclosed
US-20160039754-A1 SYNTHESIS OF DIINDOLYLMETHANES AND INDOLO[3,2-B]CARBAZOLES, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-11 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 (2 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-20160039754-A1 SYNTHESIS OF DIINDOLYLMETHANES AND INDOLO[3,2-B]CARBAZOLES, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLP1R, GIPR, INSR LMNA 2296/4885ALDH1A1 4327/4885CYP2C9 558/4885
US-20180002318-A1 SYNTHESIS OF CYCLOPROPYL INDOLES AND CYCLOHEPTA[B]INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHOD OF USING THEM IDO1, IDO2, GPR119 LMNA 4551/4885ALDH1A1 2218/4885CYP2C9 320/4885

“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.