SCHEMBL1023680

SCHEMBL1023680

Cc1[c]nccc1OCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
THRB P10828 1/20 0.42
G6PD P11413 1/20 0.42
CASP1 P29466 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
NPC1 O15118 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 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
SCHEMBL2066930 0.78 HPGD (0.43) MAPTKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL15823928 0.77 HSD11B1 (0.33) NPC1RAB9A
SCHEMBL15414290 0.76 CYP17A1 (0.34) MAPTKMT2AALDH1A1KDM4EALOX15
SCHEMBL2068642 0.75 TLR8 (0.38) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL4232724 0.75
SCHEMBL5218807 0.71 NPC1 (0.45) MAPTKMT2AALDH1A1KDM4EALOX15
SCHEMBL4397933 0.70 CYP17A1 (0.51) MAPTKMT2AALDH1A1KDM4EALOX15
SCHEMBL17046430 0.70 MEN1 (0.43) MAPTKMT2AALDH1A1KDM4EALOX15
SCHEMBL587874 0.70 TAAR1 (0.33)
SCHEMBL14938524 0.69 ALDH1A1 (0.30) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108164507-A A kind of R-lansoprazole monocrystalline and its preparation method and application 天津药物研究院有限公司 2018-06-15 CN claimed
WO-2009106745-A2 METHOD FOR ENANTIO-SELECTIVE PREPARATION OF SULPHOXIDES SIDEM PHARMA SA (LU) 2009-09-03 WO claimed
CN-107202893-B A kind of small molecule chip, its construction method, its application and its detection method 广州高通生物技术有限公司 2019-08-13 CN disclosed
CN-109111430-A A kind of Dexlansoprazole crystal form A and preparation method thereof 江苏豪森药业集团有限公司 2019-01-01 CN disclosed
EP-2277510-B1 Controlled release preparation TAKEDA PHARMACEUTICALS CO (JP) 2018-12-26 EP disclosed
EP-2275088-B2 Method for producing granules TAKEDA PHARMACEUTICALS CO (JP) 2018-09-26 EP disclosed
CN-104080446-B Dry coated tablets 武田药品工业株式会社 2018-06-29 CN disclosed
CN-107011252-B The method for drawing azole intermediate and drug is prepared using the green technology for substituting the poisonous and harmful substances such as phosgene, thionyl chloride 浙江工业大学 2018-06-08 CN disclosed
CN-104530018-B Indole compounds containing alpha-methylene-gamma-butyrolactone structures, preparation method and application thereof 郑州大学 2017-04-12 CN disclosed
EP-1602362-B1 DRUG COMPOSITION HAVING ACTIVE INGREDIENT ADHERED AT HIGH CONCENTRATION TO SPHERICAL CORE TAKEDA PHARMACEUTICAL (JP) 2016-09-28 EP disclosed
US-20160128945-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2016-05-12 US disclosed
EP-1607088-A1 CONTROLLED RELEASE COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2005-12-21 EP disclosed
EP-1602362-A1 DRUG COMPOSITION HAVING ACTIVE INGREDIENT ADHERED AT HIGH CONCENTRATION TO SPHERICAL CORE Takeda Pharmaceutical Company Limited (JP) 2005-12-07 EP disclosed
US-20050222210-A1 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-06 US disclosed
EP-1553929-A2 CONTROLLED RELEASE PREPARATION Takeda Pharmaceutical Company Limited (JP) 2005-07-20 EP disclosed
EP-1513527-A1 PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
EP-1514870-A1 PRODRUG AND PROCESS FOR PRODUCING THE SAME Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2004035020-A2 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 WO disclosed
WO-2003105845-A1 PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-12-24 WO disclosed
US-6423846-B1 USING PHASE TRANSFER CATALYST HANMI PHARM. CO., LTD. (KR) 2002-07-23 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-20050222210-A1 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers SI, VIP, PGC MAPT 4193/4885KMT2A 2419/4885ALDH1A1 302/4885
US-20160128945-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG MAPT 1399/4885KMT2A 4068/4885ALDH1A1 3641/4885

“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.