SCHEMBL16057947

SCHEMBL16057947

CCc1ccc(-c2ccnc(OC(=O)O)c2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM2B Q8NHM5 2/20 0.36
▸ KDM4C Q9H3R0 2/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ IDO1 P14902 1/20 0.35

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
SCHEMBL16058150 0.89 PDE10A (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1ACACB
SCHEMBL16057060 0.87 RARB (0.46) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL16058685 0.86 LMNA (0.39) RAB9AALDH1A1MEN1KMT2A
SCHEMBL16057423 0.84 CCNC (0.39) SLC22A12ALDH1A1ACACBCDC7DBF4
SCHEMBL14975894 0.84 PORCN (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4C
SCHEMBL16058089 0.83 RARB (0.39) SLC22A12RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL16056911 0.83 ACACB (0.35) FFAR4ALDH1A1KDM4CKDM5AKDM5B
SCHEMBL16057745 0.83 CYP2D6 (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL16058834 0.83 CYP3A4 (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL16056981 0.81 SLC6A7 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4C

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-9828338-B2 Carbamate derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-28 — — US disclosed
US-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-10 — — US disclosed
WO-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 — — 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 (1 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-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS NAAA, FAAH, FAAH2 SLC22A12 3015/4885RAB9A 1289/4885SMN1; SMN2 1880/4885

“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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