SCHEMBL2090691

SCHEMBL2090691

CC(C)(C)c1ccc(NC(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.65
EPHX2 P34913 1/20 0.65
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPT P10636 1/20 0.61
XBP1 P17861 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
KIF11 P52732 1/20 0.61
HDAC3 O15379 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
TRPV1 Q8NER1 4/20 0.58
PDK1 Q15118 1/20 0.58
PDK2 Q15119 1/20 0.58
PDK3 Q15120 1/20 0.58

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
SCHEMBL28911724 0.87 EPHX2 (0.50) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL13651401 0.87 EPHX2 (0.50) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL13756246 0.84 MAPT (0.81) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2730172 0.84 MAPT (0.81) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL14076379 0.83 NR1H4 (0.61) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL4638258 0.83 NR1H4 (0.65) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL785306 0.83 NR1H4 (0.66) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2090688 0.83 NPC1 (0.61) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL12940302 0.82 SIRT1 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15861681 0.82 NR3C2 (0.56) NR1H4EPHX2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106046100-A 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-aryl derivatives, methods for the production thereof and the use thereof for treating diseases 拜耳知识产权有限责任公司 2016-10-26 CN claimed
CN-102596985-A 17-hydroxy-17-pentafluoroethyl-estra-4, 9(10) -dien-11-aryl derivatives, method for the production thereof and use thereof for treating diseases BAYER SCHERING PHARMA AG 2012-07-18 CN claimed
EP-1353926-B1 MIKANOLIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USES SOD CONSEILS RECH APPLIC (FR) 2006-03-08 EP claimed
JP-2004533456-A 2004-11-04 JP claimed
EP-1438039-A2 PRODUCT COMPRISING MIKANOLIDE, DIHYDROMIKANOLIDE OR AN ANALOGUE THEREOF COMBINED WITH ANOTHER ANTI-CANCER AGENT FOR THERAPEUTIC USE IN CANCER TREATMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-21 EP claimed
US-20040138245-A1 Product comprising mikanolide, dihydromikanolide or an analogue thereof combine with another anti-cancer agent for therapeutic use in cancer treatment SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-15 US claimed
EP-1353926-A1 MIKANOLIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USES Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-10-22 EP claimed
WO-2002096348-A2 PRODUCT COMPRISING MIKANOLIDE, DIHYDROMIKANOLIDE OR AN ANALOGUE THEREOF COMBINED WITH ANOTHER ANTI-CANCER AGENT FOR THERAPEUTIC USE IN CANCER TREATMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-12-05 WO claimed
WO-2002055523-A1 MIKANOLIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-18 WO claimed
CN-102596985-B 17-hydroxy-17-pentafluoroethyl-estra-4, 9(10) -dien-11-aryl derivatives, method for the production thereof and use thereof for treating diseases 拜耳知识产权有限责任公司 2017-05-24 CN disclosed
CN-106046100-A 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-aryl derivatives, methods for the production thereof and the use thereof for treating diseases 拜耳知识产权有限责任公司 2016-10-26 CN disclosed
CN-102596985-A 17-hydroxy-17-pentafluoroethyl-estra-4, 9(10) -dien-11-aryl derivatives, method for the production thereof and use thereof for treating diseases BAYER SCHERING PHARMA AG 2012-07-18 CN 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
WO-2010103381-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES AS TRPM 8 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-16 WO 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
WO-2005019162-A1 HYDROXAMIC ACID DERIVATIVES AND THE METHOD FOR PREPARING THEREOF AMOREPACIFIC CORPORATION (KR) 2005-03-03 WO disclosed
EP-1438039-A2 PRODUCT COMPRISING MIKANOLIDE, DIHYDROMIKANOLIDE OR AN ANALOGUE THEREOF COMBINED WITH ANOTHER ANTI-CANCER AGENT FOR THERAPEUTIC USE IN CANCER TREATMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-21 EP disclosed
EP-1353926-A1 MIKANOLIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USES Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-10-22 EP disclosed
WO-2002096348-A2 PRODUCT COMPRISING MIKANOLIDE, DIHYDROMIKANOLIDE OR AN ANALOGUE THEREOF COMBINED WITH ANOTHER ANTI-CANCER AGENT FOR THERAPEUTIC USE IN CANCER TREATMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-12-05 WO disclosed
WO-2002055523-A1 MIKANOLIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-18 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-20040138245-A1 Product comprising mikanolide, dihydromikanolide or an analogue thereof combine with another anti-cancer agent for therapeutic use in cancer treatment DTYMK, DGKG, DGKZ NR1H4 2816/4885EPHX2 1630/4885NPC1 4817/4885

“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.