SCHEMBL2776829

SCHEMBL2776829

CCC(=NO)c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
GAA P10253 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 7/20 0.41
HPGD P15428 2/20 0.40
PTPN1 P18031 1/20 0.39
HDAC3 O15379 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 2/20 0.38
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
APEX1 P27695 1/20 0.38
KMT2A Q03164 1/20 0.38
ERCC5 P28715 1/20 0.38

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
SCHEMBL3070004 1.00 CES2 (0.43) CES2CES1GAANPC1RAB9A
SCHEMBL2776826 1.00 CES2 (0.43) CES2CES1GAANPC1RAB9A
SCHEMBL22726445 0.79 CES2 (0.44) CES2CES1GAANPC1RAB9A
SCHEMBL3081493 0.78 XDH (0.47) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL3081491 0.78 XDH (0.47) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL6843254 0.76 ERCC5 (0.50) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL6843253 0.76 ERCC5 (0.50) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL27596093 0.74 ALDH1A1 (0.50) GAAALDH1A1TDP1KMT2A
SCHEMBL28341240 0.73 ALDH1A1 (0.39) CES2CES1GAANPC1RAB9A
SCHEMBL574955 0.72

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227475-B1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN INC (US) 2014-02-19 EP disclosed
US-8269008-B2 Oxazolopyridine and isoxazolopyridine derivatives for use in the treatment of HIF-mediated conditions FIBROGEN, INC. (US) 2012-09-18 US disclosed
US-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2010-12-02 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-4647698-A Novel compositions SANDOZ LTD. (US) 1987-03-03 US 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-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS HIF1AN, HIF1A, EGLN2 CES2 2573/4885CES1 2285/4885GAA 565/4885

“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.