SCHEMBL15329358

SCHEMBL15329358

C[C@H](O)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
NAAA Q02083 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
REN P00797 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CA2 P00918 1/20 0.36
EPHX2 P34913 1/20 0.36
POLB P06746 1/20 0.35
GLA P06280 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34

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
SCHEMBL7326205 0.77 ALDH1A1 (0.46) NPSR1NAAASMN1; SMN2ALDH1A1REN
SCHEMBL635478 0.76 NAAA (0.42) NPSR1NAAASMN1; SMN2NPC1ALDH1A1
SCHEMBL635477 0.76 NAAA (0.42) NPSR1NAAASMN1; SMN2NPC1ALDH1A1
SCHEMBL5607976 0.71 NAAA (0.51) NPSR1NAAAALDH1A1CYP19A1CA2
SCHEMBL14974922 0.71 TSHR (0.34) SMN1; SMN2ALDH1A1CYP19A1CA2
SCHEMBL193831 0.70 CA2 (0.40) ALDH1A1CA2
SCHEMBL16499390 0.70 CA2 (0.40) ALDH1A1CA2
SCHEMBL3449046 0.70 CA2 (0.40) ALDH1A1CA2
SCHEMBL192729 0.70 CA2 (0.40) ALDH1A1CA2
SCHEMBL14842881 0.70 CA2 (0.40) ALDH1A1CA2

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-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
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

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 NPSR1 478/4885NAAA 1/4885SMN1; SMN2 3405/4885
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) NAAA, FAAH, FAAH2 NPSR1 478/4885NAAA 1/4885SMN1; SMN2 3405/4885

“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.