SCHEMBL497320

SCHEMBL497320

CC(C)(C)OC(=O)Nc1ccc(O)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.43
MIF P14174 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.40
NQO2 P16083 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
AAK1 Q2M2I8 2/20 0.39
CYP17A1 P05093 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.38
LCK P06239 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
SCHEMBL1008033 0.86 RAB9A (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL24362149 0.85 HPGD (0.47) MIFRXFP1NQO2NPC1RAB9A
SCHEMBL29618957 0.85 HPGD (0.47) MIFRXFP1NQO2NPC1RAB9A
SCHEMBL4612314 0.84 CA12 (0.48) RXFP1MAPTNPC1RAB9AMEN1
SCHEMBL486774 0.84 RXFP1 (0.42) CXCR1MIFRXFP1NQO2NPC1
SCHEMBL18703190 0.83 MAPT (0.57) RXFP1MAPTGPR119NPC1RAB9A
SCHEMBL25610019 0.83 MAPT (0.40) RXFP1MAPTGPR119NPC1RAB9A
SCHEMBL29803200 0.83 MAPT (0.57) RXFP1MAPTGPR119NPC1RAB9A
SCHEMBL1007327 0.83 MAPT (0.49) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL24253966 0.83 POLB (0.56) RXFP1MAPTRAB9AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609080-B2 Methods and compositions for controlled release of drugs THE UNIVERSITY OF WYOMING (US) 2013-12-17 US disclosed
US-20120148521-A1 Methods and Compositions for Controlled Release of Drugs THE UNIVERSITY OF WYOMING 2012-06-14 US disclosed
US-20120148521-A1 Methods and Compositions for Controlled Release of Drugs THE UNIVERSITY OF WYOMING 2012-06-14 US disclosed
US-20120148521-A1 Methods and Compositions for Controlled Release of Drugs THE UNIVERSITY OF WYOMING 2012-06-14 US disclosed
US-8105570-B2 Covalently bond to polymer or other moiety that blocks activity until reaching delivery site; not easily circumventable THE UNIVERSITY OF WYOMING (US) 2012-01-31 US disclosed
US-8105570-B2 Covalently bond to polymer or other moiety that blocks activity until reaching delivery site; not easily circumventable THE UNIVERSITY OF WYOMING (US) 2012-01-31 US disclosed
US-8105570-B2 Covalently bond to polymer or other moiety that blocks activity until reaching delivery site; not easily circumventable THE UNIVERSITY OF WYOMING (US) 2012-01-31 US disclosed
EP-1501352-A4 METHODS AND COMPOSITIONS FOR CONTROLLED RELEASE OF DRUGS UNIV WYOMING (US) 2007-03-07 EP disclosed
EP-1501352-A1 METHODS AND COMPOSITIONS FOR CONTROLLED RELEASE OF DRUGS THE UNIVERSITY OF WYOMING (US) 2005-02-02 EP disclosed
US-20050002895-A1 Methods and compositions for controlled release of drugs WYOMING, UNIVERSITY OF, THE 2005-01-06 US disclosed
WO-2003051113-A1 METHODS AND COMPOSITIONS FOR CONTROLLED RELEASE OF DRUGS THE UNIVERSITY OF WYOMING (US) 2003-06-26 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 (2 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-20050002895-A1 Methods and compositions for controlled release of drugs OPRK1, OPRM1, OPRL1 CXCR1 3345/4885MIF 1963/4885RXFP1 3198/4885
US-20120148521-A1 Methods and Compositions for Controlled Release of Drugs OPRK1, OPRM1, AANAT CXCR1 4629/4885MIF 2088/4885RXFP1 3939/4885

“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.