SCHEMBL2302000

SCHEMBL2302000

CC(=O)OCC(Br)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
CYP3A4 P08684 1/20 0.42
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
GLS O94925 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MMP8 P22894 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 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
SCHEMBL4293759 1.00 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL27900437 0.84 CYP1A2 (0.46) ALDH1A1CYP1A2CYP2D6NPSR1KMT2A
SCHEMBL9601863 0.82 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL10615621 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2D6KMT2ACES2
SCHEMBL11600373 0.81 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL9771995 0.81 CYP1A2 (0.67) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL28832590 0.80 MEN1 (0.45) ALDH1A1CYP1A2SMN1; SMN2KMT2ACYP3A4
SCHEMBL13168067 0.80 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL31173896 0.80 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL13034095 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2D6PKMSMN1; 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954815-B1 PRODUCTION OF GLYCOPROTEINS WITH REDUCED O-GLYCOSYLATION GLYCOFI INC (US) 2015-02-25 EP disclosed
US-8795984-B2 Production of glycoproteins with reduced O-glycosylation MERCK SHARP & DOHME CORP. (US) 2014-08-05 US disclosed
US-8501438-B2 Production of glycoproteins with reduced O-glycosylation GLYCOFI, INC. (US) 2013-08-06 US disclosed
CN-101365783-B Production of glycoproteins with reduced o-glycosylation GLYCOFI INC 2013-07-17 CN disclosed
US-8461183-B2 PPAR agonist compounds, preparation and uses GENFIT (FR) 2013-06-11 US disclosed
US-20120322101-A1 PRODUCTION OF GLYCOPROTEINS WITH REDUCED O-GLYCOSYLATION GLYCOFI, INC. (US) 2012-12-20 US disclosed
US-20120237973-A1 PRODUCTION OF GLYCOPROTEINS WITH REDUCED O-GLYCOSYLATION GLYCOFI, INC. (US) 2012-09-20 US disclosed
US-8206949-B2 Production of glycoproteins with reduced O-glycosylation GLYCOFI, INC. (US) 2012-06-26 US disclosed
US-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES GENFIT (FR) 2011-08-11 US disclosed
US-20090170159-A1 PRODUCTION OF GLYCOPROTEINS WITH REDUCED O-GLYCOSYLATION GLYCOFI, INC (US) 2009-07-02 US disclosed
US-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses GENFIT (FR) 2006-04-13 US disclosed
US-20040006112-A1 Benzylidene thiazolidinediones and their use as antimycotic agents OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-01-08 US disclosed
WO-2003070239-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-08-28 WO disclosed
EP-1313471-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS Oxford GlycoSciences (UK) Limited (GB) 2003-05-28 EP disclosed
WO-2002017915-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS OXFORD GLYCOSCIENCES (UK) LIMITED (GB) 2002-03-07 WO disclosed
EP-0823896-B1 SUBSTITUTED OXIMES, HYDRAZONES AND OLEFINS AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2001-07-11 EP disclosed
US-5840725-A Substituted oximes, hydrazones and olefins as neurokinin antagonists SCHERING CORPORATION (US) 1998-11-24 US disclosed
EP-0823896-A1 SUBSTITUTED OXIMES, HYDRAZONES AND OLEFINS AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-02-18 EP disclosed
US-5696267-A ANTIHISTAMINES; ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL DISORDERS SCHERING CORPORATION (US) 1997-12-09 US disclosed
WO-1996034857-A1 SUBSTITUTED OXIMES, HYDRAZONES AND OLEFINS AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-11-07 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-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES PPARD, PPARA, PPARG ALDH1A1 1483/4885CYP1A2 918/4885CYP2D6 1738/4885
US-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses AADAC, NAT1, PARN ALDH1A1 845/4885CYP1A2 133/4885CYP2D6 450/4885
US-20040006112-A1 Benzylidene thiazolidinediones and their use as antimycotic agents SLC5A2, OXSR1, SLC5A1 ALDH1A1 2757/4885CYP1A2 1193/4885CYP2D6 138/4885

“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.