SCHEMBL538328

SCHEMBL538328

CCOC(=O)c1cc(O)n(-c2ccccc2C)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
MAPK1 P28482 1/20 0.53
KMT2A Q03164 4/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 3/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 2/20 0.47
TP53 P04637 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA9 Q16790 1/20 0.46
CYP1A2 P05177 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL3703311 0.87 MAPT (0.47) MAPTMAPK1KMT2AGAAALDH1A1
SCHEMBL3698071 0.87 NPSR1 (0.57) MAPTKMT2AGAAALDH1A1POLB
SCHEMBL2843332 0.87 PDE4B (0.60) MAPTKMT2AGAAALDH1A1PDE4A
SCHEMBL3693925 0.85 MAPT (0.53) MAPTMAPK1KMT2AGAAALDH1A1
SCHEMBL3699949 0.85 MAPT (0.53) MAPTMAPK1KMT2AGAAALDH1A1
SCHEMBL27687702 0.85 KMT2A (0.47) MAPTKMT2AGAAALDH1A1PDE4B
SCHEMBL14473680 0.85 KMT2A (0.47) MAPTKMT2AGAAALDH1A1PDE4B
SCHEMBL7268 0.85 KMT2A (0.68) MAPTKMT2AGAAALDH1A1PDE4D
SCHEMBL30979688 0.84 MAPT (0.55) MAPTMAPK1KMT2AGAAALDH1A1
SCHEMBL20077902 0.84 SLC5A1 (0.51) MAPTKMT2AGAAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-1767528-B1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2014-09-17 EP disclosed
EP-1990336-B1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2012-02-08 EP disclosed
US-7812175-B2 Process for production of 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-12 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed
US-7488831-B2 Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-10 US disclosed
US-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound IHARA CHEMICAL INDUSTRY CO., LTD (JP) 2009-02-05 US disclosed
EP-1990336-A1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2008-11-12 EP disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-09 US disclosed
EP-1767528-A1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2007-03-28 EP disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 EP 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 (4 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-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound CYP4F3, ADH5, CYP3A4 MAPT 4185/4885MAPK1 3716/4885KMT2A 841/4885
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 MAPT 2612/4885MAPK1 2702/4885KMT2A 1779/4885
US-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 MAPT 3293/4885MAPK1 388/4885KMT2A 2669/4885
US-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 MAPT 4258/4885MAPK1 2423/4885KMT2A 4776/4885

“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.