SCHEMBL3048673

SCHEMBL3048673

CCOC(=O)n1ccc(O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
LPO P22079 4/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 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
SCHEMBL29991043 0.85 KMT2A (0.52) KMT2AMEN1MAPK1ESR1LMNA
SCHEMBL12126286 0.83 KMT2A (0.49) KMT2AMEN1HPGDMAPK1LPO
SCHEMBL161442 0.81 KMT2A (0.48) KMT2AMEN1HPGDMAPK1LPO
SCHEMBL6489303 0.80 KMT2A (0.50) KMT2AMEN1HPGDMAPK1LPO
SCHEMBL10436784 0.79 KMT2A (0.56) KMT2AMEN1HPGDMAPK1CYP1A2
SCHEMBL2959354 0.76 BCHE (0.38) KMT2AMEN1MAPK1ESR2LMNA
SCHEMBL29172719 0.76 KMT2A (0.44) KMT2AMEN1HPGDMAPK1CA12
SCHEMBL18007539 0.75 F2 (0.58) KMT2AMEN1HPGDLMNAGAA
SCHEMBL12126289 0.71 PLAU (0.47) KMT2AMEN1HPGDMAPK1KDM4E
SCHEMBL4748490 0.71 KMT2A (0.52) KMT2AMEN1MAPK1ESR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11179367-B2 Pharmaceutical compositions for treating cystic fibrosis VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-11-23 US disclosed
US-10793547-B2 Modulator of the cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-10-06 US disclosed
US-20190240197-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-08 US disclosed
US-20180162839-A1 Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2018-06-14 US disclosed
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 US disclosed
EP-1884512-A1 PYRAZOLE-1-CARBOXYLIC ESTER DERIVATIVE, METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING PYRAZOLE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2008-02-06 EP disclosed
US-6642206-B2 Useful in treating a wide variety of diseases including infections, infestations, neoplasms and autoimmune diseases ICN PHARMACEUTICALS, INC. 2003-11-04 US disclosed
US-6573248-B2 Therapeutic agent for use in the treatment of tumors, infections, infestation and autoimmune disease ICN PHARMACEUTICALS, INC. 2003-06-03 US disclosed
US-6552183-B1 Moncyclic L-nucleosides analogs ICN PHARMACEUTICALS, INC. 2003-04-22 US disclosed
EP-1302474-A1 Monocyclic L-nucleosides, analogs and uses thereof Ribapharm, Inc. (US) 2003-04-16 EP disclosed
US-20030018186-A1 Monocyclic L-nucleosides, analogs and uses thereof BAUSCH HEALTH COMPANIES INC. (CA) 2003-01-23 US disclosed
EP-1254911-A1 Monocyclic L-nucleosides, analogs and uses thereof ICN Pharmaceuticals, Inc. (US) 2002-11-06 EP disclosed
US-20020095033-A1 Monocyclic L-nucleosides, analogs and uses thereof ICN PHARMACEUTICALS, INC. 2002-07-18 US disclosed
EP-1027359-A4 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN PHARMACEUTICALS (US) 2001-07-25 EP disclosed
US-6130326-A Monocyclic L-Nucleosides, analogs and uses thereof ICN PHARMACEUTICALS, INC. (US) 2000-10-10 US disclosed
EP-1027359-A2 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN Pharmaceuticals, Inc. (US) 2000-08-16 EP disclosed
WO-1998016186-A2 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN PHARMACEUTICALS, INC. (US) 1998-04-23 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 (7 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-11179367-B2 Pharmaceutical compositions for treating cystic fibrosis CFTR, PKD1, ABCB11 KMT2A 4630/4885MEN1 1520/4885HPGD 483/4885
US-20030018186-A1 Monocyclic L-nucleosides, analogs and uses thereof PNP, TYMP, SLC29A1 KMT2A 1887/4885MEN1 548/4885HPGD 1621/4885
US-20020095033-A1 Monocyclic L-nucleosides, analogs and uses thereof PNP, TYMP, SLC29A1 KMT2A 1887/4885MEN1 548/4885HPGD 1621/4885
US-20180162839-A1 Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator CFTR, SLC26A4, TMEM109 KMT2A 4439/4885MEN1 3338/4885HPGD 159/4885
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES WEE1, CYP51A1, CYP4B1 KMT2A 1968/4885MEN1 4418/4885HPGD 526/4885
US-10793547-B2 Modulator of the cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator CFTR, SLC26A4, TMEM109 KMT2A 4439/4885MEN1 3338/4885HPGD 159/4885
US-20190240197-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING CYSTIC FIBROSIS CFTR, PKD1, ABCB11 KMT2A 4630/4885MEN1 1520/4885HPGD 483/4885

“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.