SCHEMBL3222299

SCHEMBL3222299

CC(C)(C)OC(=O)N[C@H](CO)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.49
ATM Q13315 2/20 0.49
ALOX5 P09917 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 2/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CTSS P25774 3/20 0.43

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
SCHEMBL3222312 1.00 MAPT (0.52) MAPTSMN1; SMN2RAB9AATMALOX5
SCHEMBL29643038 1.00 MAPT (0.52) MAPTSMN1; SMN2RAB9AATMALOX5
SCHEMBL15423692 0.91 MAPT (0.49) MAPTSMN1; SMN2RAB9AATMALOX5
SCHEMBL20204190 0.90 CYP2D6 (0.51) MAPTSMN1; SMN2RAB9AATMALOX5
SCHEMBL28011815 0.89 MME (0.53) MAPTSMN1; SMN2RAB9AATMALOX5
SCHEMBL3060705 0.86 MAPT (0.51) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL7465229 0.86 LMNA (0.63) MAPTSMN1; SMN2RAB9AATMNPC1
SCHEMBL6539801 0.86 LMNA (0.63) MAPTSMN1; SMN2RAB9AATMNPC1
SCHEMBL14532784 0.86 LMNA (0.63) MAPTSMN1; SMN2RAB9AATMNPC1
SCHEMBL28096705 0.85 MAPT (0.50) MAPTSMN1; SMN2RAB9AATMALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632908-B1 SULFONAMIDES AS HIV PROTEASE INHIBITORS MERCK CANADA INC (CA) 2016-05-25 EP disclosed
US-9187415-B2 Sulfonamides as HIV protease inhibitors MERCK CANADA INC. (CA) 2015-11-17 US disclosed
US-9187415-B2 Sulfonamides as HIV protease inhibitors MERCK CANADA INC. (CA) 2015-11-17 US disclosed
US-20140018326-A1 SULFONAMIDES AS HIB PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2014-01-16 US disclosed
US-20140018326-A1 SULFONAMIDES AS HIB PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2014-01-16 US disclosed
EP-2114158-B1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMA INC (US) 2012-08-08 EP disclosed
WO-2012055034-A1 SULFONAMIDES AS HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2012-05-03 WO disclosed
US-20100041647-A1 3-Substituted-[1,2,3]-Benzotriazinone compounds for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2010-02-18 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 (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-20140018326-A1 SULFONAMIDES AS HIB PROTEASE INHIBITORS PRSS1, PRSS3, PRSS2 MAPT 2270/4885SMN1; SMN2 2665/4885RAB9A 1388/4885
US-20100041647-A1 3-Substituted-[1,2,3]-Benzotriazinone compounds for enhancing glutamatergic synaptic responses GRIN1, GRIN3B, GABRE MAPT 482/4885SMN1; SMN2 1637/4885RAB9A 1195/4885

“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.