SCHEMBL2490559

SCHEMBL2490559

CCc1c(C(=O)O)noc1-c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 6/20 0.53
PTPN1 P18031 2/20 0.53
PIN1 Q13526 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MDM2 Q00987 3/20 0.43
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
NR4A2 P43354 1/20 0.42
RXRG P48443 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 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
SCHEMBL2564471 0.84 PTPN1 (0.61) DUSP3PTPN1TP53
SCHEMBL1686409 0.83 ALOX5AP (0.50) DUSP3PTPN1TRPV1RXRANR4A2
SCHEMBL1686323 0.83 KMO (0.45) DUSP3PTPN1NPC1RAB9ARXRA
SCHEMBL4337496 0.82 DUSP3 (0.56) DUSP3PTPN1PIN1TRPV1NPC1
SCHEMBL11373825 0.79 FABP3 (0.48) DUSP3PTPN1PIN1TRPV1NPC1
SCHEMBL1227041 0.76 DUSP3 (0.56) DUSP3PTPN1PIN1TRPV1NPC1
SCHEMBL1686554 0.75 PTPN1 (0.45) DUSP3PTPN1TRPV1MAPT
SCHEMBL1686474 0.75 PTPN1 (0.45) DUSP3PTPN1TRPV1NPC1RAB9A
SCHEMBL1545025 0.74 L3MBTL1 (0.53) TRPV1L3MBTL1MAPTTP53PDE4B
SCHEMBL1226204 0.73 PTPN1 (0.58) DUSP3PTPN1NPC1RAB9AMAPT

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-20110313172-A1 PROCESS FOR THE PREPARATION OF 1-[5-(3-CHLORO-PHENYL)-ISOOXAZOL-3-YL]-ETHANONE AND (R)-1-[5-(3-CHLORO-PHENYL)-ISOOXAZOL-3-YL]-ETHANOL ASTRAZENECA AB (SE) 2011-12-22 US disclosed
EP-2379514-A1 NEW PROCESS FOR THE PREPARATION OF 1- [5- (3-CHLORO-PHENYL) - ISOOXAZOL-3-YL]-ETHANONE AND (R) -1- [5- (3-CHLORO-PHENYL) - ISOOXAZOL-3-YL]-ETHANOL AstraZeneca AB (SE) 2011-10-26 EP disclosed
WO-2010071558-A1 NEW PROCESS FOR THE PREPARATION OF 1- [5- (3-CHLORO-PHENYL) - ISOOXAZOL-3-YL] -ETHANONE AND (R) -1- [5- (3-CHLORO-PHENYL) - ISOOXAZOL-3-YL] -ETHANOL ASTRAZENECA AB (SE) 2010-06-24 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-20110313172-A1 PROCESS FOR THE PREPARATION OF 1-[5-(3-CHLORO-PHENYL)-ISOOXAZOL-3-YL]-ETHANONE AND (R)-1-[5-(3-CHLORO-PHENYL)-ISOOXAZOL-3-YL]-ETHANOL ADH1C, ADH1A, GK DUSP3 3998/4885PTPN1 3948/4885PIN1 3770/4885

“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.