SCHEMBL1840799

SCHEMBL1840799

CCCCOC(=O)NC(CO)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.47
EPHX1 P07099 1/20 0.44
ACHE P22303 13/20 0.43
MME P08473 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL2332506 1.00 TGFBR1 (0.47) TGFBR1EPHX1ACHEMMEALDH1A1
SCHEMBL5765667 1.00 TGFBR1 (0.47) TGFBR1EPHX1ACHEMMEALDH1A1
SCHEMBL9854740 0.93 EPHX1 (0.54) TGFBR1EPHX1ACHE
SCHEMBL8658518 0.93 EPHX1 (0.54) TGFBR1EPHX1ACHE
SCHEMBL7769025 0.93 EPHX1 (0.54) TGFBR1EPHX1ACHE
SCHEMBL7769026 0.93 EPHX1 (0.54) TGFBR1EPHX1ACHE
SCHEMBL8657701 0.93 EPHX1 (0.54) TGFBR1EPHX1ACHE
SCHEMBL12354490 0.89 TGFBR1 (0.50) TGFBR1ACHEMMEALDH1A1
SCHEMBL5426414 0.89 ACE (0.42) TGFBR1EPHX1ACHEMME
SCHEMBL480292 0.88 EPHX1 (0.46) EPHX1ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031801-A1 DEUTERATED 2-AMINO-3-HYDROXYPROPANOIC ACID DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2016-02-04 US disclosed
US-9108902-B2 Deuterated 2-amino-3-hydroxypropanoic acid derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
EP-2861604-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2015-04-22 EP disclosed
EP-2859009-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2015-04-15 EP disclosed
US-20140221492-A1 DEUTERATED 2-AMINO-3-HYDROXYPROPANOIC ACID DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2014-08-07 US disclosed
US-8704001-B2 Deuterated 2-amino-3-hydroxypropanoic acid derivatives CONCERT PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
WO-2013185103-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2013-12-12 WO disclosed
WO-2013185090-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2013-12-12 WO disclosed
US-20110251131-A1 DEUTERATED 2-AMINO-3-HYDROXYPROPANOIC ACID DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2011-10-13 US disclosed
EP-2321272-A1 ORGANIC COMPOUNDS Nabriva Therapeutics AG (AT) 2011-05-18 EP disclosed
EP-1807397-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-07-18 EP disclosed
WO-2006046039-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-05-04 WO disclosed
CN-1741801-A Water-soluble anionic bacteriochlorophyll derivatives and uses thereof YEDA RES & DEV (IL) 2006-03-01 CN disclosed
EP-1567147-A2 WATER-SOLUBLE ANIONIC BACTERIOCHLOROPHYLL DERIVATIVES AND THEIR USES YEDA RESEARCH AND DEVELOPMENT COMPANY, LTD. (IL) 2005-08-31 EP disclosed
WO-2004045492-A2 WATER-SOLUBLE ANIONIC BACTERIOCHLOROPHYLL DERIVATIVES AND THEIR USES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-06-03 WO disclosed
EP-1246826-A1 CHLOROPHYLL AND BACTERIOCHLOROPHYLL ESTERS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT COMPANY, LTD. (IL) 2002-10-09 EP disclosed
WO-2001040232-A9 CHLOROPHYLL AND BACTERIOCHLOROPHYLL ESTERS, AND THEIR PREPARATION YEDA RES & DEV (IL) 2002-09-12 WO disclosed
WO-2001040232-A1 CHLOROPHYLL AND BACTERIOCHLOROPHYLL ESTERS, AND THEIR PREPARATION YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2001-06-07 WO disclosed
EP-0775140-A1 SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1997-05-28 EP disclosed
WO-1996005203-A1 SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1996-02-22 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-20140221492-A1 DEUTERATED 2-AMINO-3-HYDROXYPROPANOIC ACID DERIVATIVES GRIN3A, GRIK5, GRIN2A TGFBR1 2280/4885EPHX1 1150/4885ACHE 3058/4885
US-20110251131-A1 DEUTERATED 2-AMINO-3-HYDROXYPROPANOIC ACID DERIVATIVES GRIN3A, GRIK5, GRIN2A TGFBR1 2280/4885EPHX1 1150/4885ACHE 3058/4885
US-20160031801-A1 DEUTERATED 2-AMINO-3-HYDROXYPROPANOIC ACID DERIVATIVES GRIN3A, GRIK5, GRIN2A TGFBR1 2280/4885EPHX1 1150/4885ACHE 3058/4885

“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.