SCHEMBL851716

SCHEMBL851716

CCOC(=O)c1cccc(-c2ccc(O)cn2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ESR1 P03372 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ESR2 Q92731 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
GALR1 P47211 1/20 0.47

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
SCHEMBL6888048 0.85 HSD17B1 (0.53) NPC1RAB9AMAPTCA12CA1
SCHEMBL1279515 0.85 LMNA (0.51) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL850817 0.85 GABRG2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL29596804 0.84 NPC1 (0.52) NPC1RAB9AMAPTTP53LMNA
SCHEMBL12924133 0.84 NPC1 (0.52) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL29978844 0.82 NPC1 (0.58) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL2388712 0.82 NPC1 (0.58) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL2771575 0.81 CA12 (0.62) NPC1RAB9ACA12CA1CA2
SCHEMBL1279957 0.81 MAPT (0.56) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL12923840 0.81 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
EP-2432771-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
WO-2010135360-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-11-25 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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NPC1 1678/4885RAB9A 1459/4885MAPT 3803/4885

“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.