SCHEMBL4440938

SCHEMBL4440938

CC(C)c1ccccc1OC(=O)NCCc1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.74
POLB P06746 1/20 0.52
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 4/20 0.46
PKM P14618 1/20 0.46
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL15339808 0.90 CES2 (0.74) CES2RAB9ANPC1GAATAAR1
SCHEMBL4443290 0.88 CES2 (0.68) CES2RAB9ANPC1GAATAAR1
SCHEMBL24013409 0.88 CES2 (0.74) CES2RAB9ANPC1GAATAAR1
SCHEMBL2726407 0.85 CES2 (0.58) CES2
SCHEMBL4433152 0.85 CES2 (1.00) CES2RAB9ANPC1GAATAAR1
SCHEMBL30192907 0.85 CES2 (1.00) CES2RAB9ANPC1GAATAAR1
SCHEMBL24013513 0.85 CES2 (0.67) CES2RAB9ANPC1GAATAAR1
SCHEMBL24013826 0.84 CES2 (0.66) CES2RAB9ANPC1GAATAAR1
SCHEMBL2723579 0.81 GAA (0.53) CES2RAB9ANPC1GAATAAR1
SCHEMBL15339832 0.81 CES2 (0.64) CES2ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249128-B2 Anti-cancer serine hydrolase inhibitory carbamates THE SCRIPPS RESEARCH INSTITUTE (US) 2016-02-02 US disclosed
US-9249128-B2 Anti-cancer serine hydrolase inhibitory carbamates THE SCRIPPS RESEARCH INSTITUTE (US) 2016-02-02 US disclosed
US-9249128-B2 Anti-cancer serine hydrolase inhibitory carbamates THE SCRIPPS RESEARCH INSTITUTE (US) 2016-02-02 US disclosed
US-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
US-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
US-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
WO-2012058115-A2 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES CRAVATT BENJAMIN (US) 2012-05-03 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-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES AADAC, DDAH1, PRSS1 CES2 679/4885POLB 4712/4885RAB9A 2121/4885

“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.