SCHEMBL8309627

SCHEMBL8309627

OCc1ccc(-c2ccsc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
CYP2A6 P11509 3/20 0.52
CYP2E1 P05181 2/20 0.52
CYP2B6 P20813 2/20 0.52
FYN P06241 1/20 0.49
KCNH2 Q12809 1/20 0.44
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
ERN1 O75460 1/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
PTGS1 P23219 1/20 0.41
CHEK2 O96017 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
PRMT6 Q96LA8 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
SCHEMBL4310665 0.89 LTA4H (0.52) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL4612023 0.83 CYP17A1 (0.53) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL27989815 0.81 CYP2A6 (0.74) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL4056073 0.78 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL5023933 0.78 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL112385 0.78 HRH3 (0.61) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL8343615 0.78 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL5828167 0.78 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL7445908 0.78 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL11310791 0.78 MKNK1 (0.56) MKNK1MKNK2ERN1PTGS1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782567-B1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) UNIV CALIFORNIA (US) 2017-03-22 EP disclosed
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) FOND ST ITALIANO TECNOLOGIA (IT) 2016-08-18 US disclosed
US-9353075-B2 Disubstituted beta-lactones as inhibitors of N-acylethanolamine acid amidase (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 US disclosed
EP-2782567-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) The Regents of The University of California (US) 2014-10-01 EP disclosed
US-20130281490-A1 Disubstituted Beta-lactones as Inhibitors of N-Acylethanolamine Acid Amidase (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-10-24 US disclosed
WO-2013078430-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 WO disclosed
US-5939557-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-08-17 US disclosed
EP-0891343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036886-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed
EP-0682654-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1996-01-17 EP disclosed
EP-0682654-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-11-22 EP disclosed
WO-1994018169-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-08-18 WO disclosed
US-5284841-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1994-02-08 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-20130281490-A1 Disubstituted Beta-lactones as Inhibitors of N-Acylethanolamine Acid Amidase (NAAA) NAAA, FAAH, FAAH2 CYP17A1 890/4885CYP11B1 3262/4885CYP11B2 3392/4885
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) NAAA, FAAH, FAAH2 CYP17A1 890/4885CYP11B1 3262/4885CYP11B2 3392/4885

“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.