SCHEMBL19014332

SCHEMBL19014332

CCC(=O)N1CCC(SC)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.49
ALDH1A1 P00352 3/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
NPC1 O15118 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
EPHX1 P07099 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA7 P36544 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL23571281 0.90 CHRM1 (0.42) EPHX2ALDH1A1EPHX1
SCHEMBL19014331 0.89 CHRNB2 (0.43) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL24480964 0.87 EPHX2 (0.40) EPHX2EPHX1
SCHEMBL20635895 0.82 EPHX2 (0.47) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL25934560 0.82 ALDH1A1 (0.46) ALDH1A1NPC1
SCHEMBL20813774 0.81 ALDH1A1 (0.39) EPHX2ALDH1A1NPC1EPHX1
SCHEMBL25934526 0.79 KMT2A (0.43) ALDH1A1NPC1
SCHEMBL22875130 0.78 ALDH1A1 (0.50) ALDH1A1NPC1
SCHEMBL10282539 0.77 ALDH1A1 (0.67) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL7487836 0.77 EPHX2 (0.53) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020458-A1 METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS Seal Rock Therapeutics, Inc. (US) 2024-01-25 WO disclosed
US-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 US disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
US-20200247762-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-06 US disclosed
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-05 US disclosed
US-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-25 US disclosed
WO-2017103188-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 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 (5 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 EPHX2 1997/4885ALDH1A1 776/4885CHRNB2 4762/4885
US-20200247762-A1 K-RAS MODULATORS KRAS, HRAS, NRAS EPHX2 2240/4885ALDH1A1 3564/4885CHRNB2 4485/4885
US-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 EPHX2 3082/4885ALDH1A1 3889/4885CHRNB2 4827/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS EPHX2 2689/4885ALDH1A1 3111/4885CHRNB2 4597/4885
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases BTK, BCL9L, BCL9 EPHX2 3082/4885ALDH1A1 3889/4885CHRNB2 4827/4885

“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.