SCHEMBL14977095

SCHEMBL14977095

Cc1c(-c2ccc(-c3ccsc3)cc2)ccn(C(=O)O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.42
▸ ACMSD Q8TDX5 1/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ CHEK2 O96017 6/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ GLO1 Q04760 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ PORCN Q9H237 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33

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
SCHEMBL14975270 0.83 KDM4E (0.39) BRD4
SCHEMBL16058690 0.76 S1PR1 (0.40) —
SCHEMBL16057309 0.74 MCL1 (0.40) —
SCHEMBL16056806 0.74 LMNA (0.41) BRD4
SCHEMBL16057641 0.74 MKNK1 (0.48) GPR35
SCHEMBL14975255 0.73 COMT (0.42) ACMSDBRD4
SCHEMBL16058496 0.73 HDAC4 (0.39) —
SCHEMBL16057273 0.72 CYP3A4 (0.41) ACMSD
SCHEMBL16057334 0.71 L3MBTL1 (0.42) —
SCHEMBL16056811 0.70 HPGD (0.50) BRD4

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-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

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 GPR35 589/4885ACMSD 524/4885CYP2E1 1208/4885
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) NAAA, FAAH, FAAH2 GPR35 589/4885ACMSD 524/4885CYP2E1 1208/4885

“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.

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