SCHEMBL16058817

SCHEMBL16058817

CCCCc1c(-c2ccc(C(F)(F)F)cc2)ccn(C(=O)O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ APP P05067 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ CYP2C8 P10632 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CRHBP P24387 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
SCHEMBL16056988 0.84 RARB (0.40) ALDH1A1
SCHEMBL16057331 0.82 DCTPP1 (0.43) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL14977502 0.81 GCGR (0.41) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL14977319 0.80 APP (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16057557 0.76 CYP3A4 (0.47) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL16056895 0.75 RARB (0.48) ALDH1A1AKR1C2MEN1MAPTKMT2A
SCHEMBL16057208 0.75 SLC37A4 (0.38) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL16057538 0.75 MAPT (0.40) KDM4EALDH1A1MAPT
SCHEMBL16057516 0.71 TOP2A (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16057246 0.65 TEAD1 (0.34) MAPT

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 PSEN1 955/4885PSEN2 1036/4885APH1B 97/4885

“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.

Send feedback