SCHEMBL4454441

SCHEMBL4454441

CNCC[C@H](O)C1=CC=CCC1=S

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL6827611 1.00 HTR2A (0.30) HTR2AHRH1
SCHEMBL4184691 1.00 HTR2A (0.30) HTR2AHRH1
SCHEMBL4056973 0.77 HTR2A (0.30) HTR2AHRH1
SCHEMBL4456201 0.77 HTR2A (0.30) HTR2AHRH1
SCHEMBL3957396 0.75 ATM (0.33)
SCHEMBL3957367 0.75 ATM (0.33)
SCHEMBL7138699 0.72 GABBR2 (0.32)
SCHEMBL4446823 0.72 GABBR2 (0.32)
SCHEMBL4456499 0.72
SCHEMBL5929582 0.72 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP claimed
US-7553970-B2 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2009-06-30 US claimed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
US-7553970-B2 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2009-06-30 US disclosed
US-7462731-B2 Processes for the preparation of heterocyclic hydroxyamines and intermediates and catalysts for use therein NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2008-12-09 US disclosed
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives BERENDES FRANK 2006-11-23 US disclosed
US-20060252945-A1 Process for the asymmetric hydrogenation of beta-amino ketones LONZA AG (CH) 2006-11-09 US disclosed
EP-1664014-A2 PROCESS FOR THE ASYMMETRIC HYDROGENATION OF BETA-AMINO KETONES LONZA AG (CH) 2006-06-07 EP disclosed
US-20050272940-A1 Processes for the preparation of heterocyclic hydroxyamines and intermediates and catalysts for use therein AVECIA LIMITED (GB) 2005-12-08 US disclosed
EP-1542985-A2 PROCESSES FOR THE PREPARATION OF HETEROCYCLIC HYDROXYAMINES AND INTERMEDIATES AND CATALYSTS FOR USE THEREIN Avecia Limited (GB) 2005-06-22 EP disclosed
WO-2005021527-A2 PROCESS FOR THE ASYMMETRIC HYDROGENATION OF BETA-AMINO KETONES LONZA AG (CH) 2005-03-10 WO disclosed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US disclosed
WO-2004024708-A2 PROCESSES FOR THE PREPARATION OF HETEROCYCLIC HYDROXYAMINES AND INTERMEDIATES AND CATALYSTS FOR USE THEREIN AVECIA LIMITED (GB) 2004-03-25 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 (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-20050272940-A1 Processes for the preparation of heterocyclic hydroxyamines and intermediates and catalysts for use therein OXGR1, HRH3, HRH4 HTR2A 332/4885HRH1 28/4885
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR HTR2A 158/4885HRH1 435/4885
US-20060252945-A1 Process for the asymmetric hydrogenation of beta-amino ketones KHK, BCKDK, GLUL HTR2A 2377/4885HRH1 169/4885
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR HTR2A 158/4885HRH1 435/4885

“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.