SCHEMBL2091571

SCHEMBL2091571

CC(C)Oc1ccc(NC(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.71
ALDH1A1 P00352 8/20 0.66
KMT2A Q03164 6/20 0.66
TP53 P04637 5/20 0.66
LMNA P02545 3/20 0.66
MEN1 O00255 3/20 0.66
GAA P10253 2/20 0.66
MAPT P10636 7/20 0.62
NLRP1 Q9C000 1/20 0.62
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MCL1 Q07820 1/20 0.58
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HTT P42858 1/20 0.55
PNLIP P16233 1/20 0.55
USP2 O75604 1/20 0.52
ALOX15 P16050 1/20 0.52
PARP10 Q53GL7 1/20 0.52

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
SCHEMBL6783366 0.85 GLA (0.71) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL2091569 0.85 GLA (0.71) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL4117977 0.84 TP53 (0.69) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL4105488 0.84 ALDH1A1 (0.70) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL24047280 0.83 GLA (0.69) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL2095026 0.83 GLA (0.69) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL5188506 0.83 GLA (1.00) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL19223060 0.82 KMT2A (0.73) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL31185151 0.81 GLA (0.67) GLAALDH1A1KMT2ATP53LMNA
SCHEMBL31185167 0.81 GLA (0.67) GLAALDH1A1KMT2ATP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200325156-A1 HETEROARYL AMIDE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS THEREOF, AND APPLICATIONS THEREOF RUI JIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2020-10-15 US disclosed
EP-3705481-A1 HETEROARYL AMIDE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS THEREOF, AND APPLICATIONS THEREOF Rui Jin Hospital Affiliated To Shanghai Jiao Tong University School of Medicine (CN) 2020-09-09 EP disclosed
WO-2019196111-A1 ANTI-TUMOR MULTIDRUG RESISTANCE OF HETEROARYL AMIDE COMPOUND, USE IN TREATMENT OF CANCERS AND PROTEIN-DRUG MOLECULAR COMPLEX 上海交通大学医学院附属瑞金医院 2019-10-17 WO disclosed
EP-2236494-B1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD KK (JP) 2016-08-31 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-2236494-A1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-10-06 EP disclosed
US-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD K.K. (JP) 2010-09-30 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1901745-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS AND A FARNESYL TRANSFERASE INHIBITOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-26 EP disclosed
EP-1898917-A1 AMINOPYRIMIDINES AS KINASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-03-19 EP disclosed
EP-1896029-A1 AMINOPYRIMIDINES AS KINASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-03-12 EP disclosed
WO-2006135644-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135719-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135713-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS AND A FARNESYL TRANSFERASE INHIBITOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (3 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-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE CHRM2, CHRM3, CHRM1 GLA 2967/4885ALDH1A1 1423/4885KMT2A 1869/4885
US-20200325156-A1 HETEROARYL AMIDE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS THEREOF, AND APPLICATIONS THEREOF WEE1, ABCG2, WEE2 GLA 2956/4885ALDH1A1 947/4885KMT2A 1682/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 GLA 4138/4885ALDH1A1 412/4885KMT2A 3324/4885

“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.