SCHEMBL16056640

SCHEMBL16056640

Cc1c(-c2ccccc2C2CCCCC2)ccn(C(=O)O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ TSHR P16473 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ CAMKK1 Q8N5S9 1/20 0.33
▸ CAMKK2 Q96RR4 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL14977412 0.79 CYP3A4 (0.43) GAAHTTL3MBTL1MAPTKMT2A
SCHEMBL16057273 0.77 CYP3A4 (0.41) GAAHTTL3MBTL1MAPTKMT2A
SCHEMBL14975040 0.77 PTGDR2 (0.43) PTGDR2GAAATMMEN1KMT2A
SCHEMBL14975270 0.71 KDM4E (0.39) PTGS2L3MBTL1MAPTMAPK1MEN1
SCHEMBL4476575 0.71 PTGS2 (0.56) PTGS2PTGDR2CYP1A2CYP2D6
SCHEMBL8774864 0.69 PTGDR2 (0.48) PTGS2PTGDR2GAAL3MBTL1MAPT
Phosphine SCHEMBL2085257 0.69 PTGS2 (0.54) PTGS2PTGDR2NAAACYP1A2CYP2D6
Bicarbonate SCHEMBL27568262 0.69 PTGS2 (0.60) PTGS2PTGDR2GAAHTTMAPT
SCHEMBL16058367 0.69 DHODH (0.43) L3MBTL1MAPTALDH1A1
SCHEMBL16058712 0.68 PTGDR2 (0.42) PTGS2PTGDR2NAAASLC6A4CAMKK1

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 PTGS2 873/4885PTGDR2 1270/4885TSHR 4069/4885

“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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