SCHEMBL4443290

SCHEMBL4443290

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.68
KDM4E B2RXH2 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
LTA4H P09960 1/20 0.48
EPHX2 P34913 1/20 0.48
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TACR1 P25103 1/20 0.43
CNR1 P21554 1/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
ESRRG P62508 1/20 0.41

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
SCHEMBL4440938 0.88 CES2 (0.74) CES2KDM4EPLAAT3PLAAT5PLAAT2
SCHEMBL15339808 0.85 CES2 (0.74) CES2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4446674 0.85 PLAAT3 (0.50) CES2KDM4ENPSR1PLAAT3PLAAT5
SCHEMBL24013409 0.83 CES2 (0.74) CES2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4433152 0.81 CES2 (1.00) CES2NPC1GAARAB9ATAAR1
SCHEMBL30192907 0.81 CES2 (1.00) CES2NPC1GAARAB9ATAAR1
SCHEMBL24013513 0.81 CES2 (0.67) CES2KDM4ENPC1GAARAB9A
SCHEMBL24013826 0.80 CES2 (0.66) CES2NPC1GAARAB9ATAAR1
SCHEMBL15339832 0.77 CES2 (0.64) CES2
SCHEMBL21824256 0.77 PLAAT3 (0.56) PLAAT3PLAAT5PLAAT2PLAAT4LTA4H

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 5 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-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 679/4885KDM4E 334/4885NPSR1 4011/4885

“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.