SCHEMBL16058822

SCHEMBL16058822

Cc1c(-c2ccc(-c3ccccc3F)cc2)ccnc1OC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 15/20 0.47
▸ DHFR P00374 1/20 0.42
▸ ALKBH5 Q6P6C2 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ ACMSD Q8TDX5 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL16058727 0.89 PTGS1 (0.41) MAPT
SCHEMBL14975894 0.88 PORCN (0.40) DHODHALDH1A1MAPTL3MBTL1
SCHEMBL16056981 0.86 SLC6A7 (0.41) DHODHALDH1A1MAPTPPARGPPARA
SCHEMBL16057040 0.83 RAB9A (0.44) ALDH1A1MAPT
SCHEMBL16057423 0.82 CCNC (0.39) ALDH1A1SLC22A12
SCHEMBL16058685 0.82 LMNA (0.39) ALDH1A1L3MBTL1
SCHEMBL16056911 0.81 ACACB (0.35) DHODHALDH1A1L3MBTL1
SCHEMBL16057661 0.81 SLC2A1 (0.42) ALDH1A1L3MBTL1PPARGPPARA
SCHEMBL16057029 0.80 KDM5A (0.40) DHODHMAPTPPARGPPARA
SCHEMBL16057874 0.79 LDHA (0.43) DHODH

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 DHODH 2122/4885DHFR 2304/4885ALKBH5 1943/4885

“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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