SCHEMBL2173910

SCHEMBL2173910

CC(C)(CN)C(=O)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
DAO P14920 1/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3B P49841 1/20 0.46
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3196141 0.84 TSHR (0.51) TSHRRAB9AALDH1A1NPC1MEN1
SCHEMBL22955796 0.81 TSHR (0.49) TSHRRAB9AALDH1A1NPC1MEN1
SCHEMBL1925969 0.79 TSHR (0.47) TSHRRAB9AALDH1A1NPC1MEN1
SCHEMBL3181932 0.79 CES2 (0.58) TSHRRAB9AALDH1A1NPC1MEN1
SCHEMBL3732383 0.79 CES2 (0.58) TSHRRAB9AALDH1A1NPC1MEN1
SCHEMBL15120382 0.77 CES2 (0.56) TSHRRAB9AALDH1A1NPC1MEN1
SCHEMBL17204107 0.76 CES2 (0.50) TSHRRAB9AALDH1A1NPC1MEN1
SCHEMBL31388183 0.76 TSHR (0.44) TSHRRAB9AALDH1A1NPC1MEN1
SCHEMBL7037574 0.75 CES2 (0.58) TSHRRAB9AALDH1A1NPC1MEN1
SCHEMBL1760911 0.75 CES1 (0.58) TSHRRAB9AALDH1A1NPC1MEN1

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
US-8501967-B2 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2013-08-06 US disclosed
US-20120316350-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2012-12-13 US disclosed
US-8258338-B2 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2012-09-04 US disclosed
EP-1720852-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2012-07-11 EP disclosed
US-8193380-B2 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2012-06-05 US disclosed
US-20110207946-A1 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2011-08-25 US disclosed
US-7973182-B2 enantiomerically pure 1-substituted-3-amino-alcohols, particularly of (S)-(-)- and (R)-(+)-3-N-methylamino-1-(2-thienyl)-1-propanol, by asymmetrically hydrogenating salts of a carboxylic acids with an aminoketone of the formula: LONZA LTD. (CH) 2011-07-05 US disclosed
US-20090156833-A1 Process for the Preparation of Enantiomerically Pure 1-Substituted-3-Aminoalcohols LONZA AG (CH) 2009-06-18 US disclosed
US-20080154047-A1 Process For the Preparation of Enantiomerically Pure1-Substitued-3-Aminoalcohols LONZA AG (CH) 2008-06-26 US disclosed
EP-1868983-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2007-12-26 EP disclosed
EP-1720852-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2006-11-15 EP disclosed
WO-2006087166-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2006-08-24 WO disclosed
WO-2005080370-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2005-09-01 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-20110207946-A1 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols ALDH7A1, BCKDK, AASDHPPT TSHR 3197/4885RAB9A 3731/4885ALDH1A1 63/4885
US-20120316350-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS CYP2S1, AKR1C3, AKR1B10 TSHR 3248/4885RAB9A 2680/4885ALDH1A1 99/4885
US-20090156833-A1 Process for the Preparation of Enantiomerically Pure 1-Substituted-3-Aminoalcohols CYP2S1, AKR1C3, ADSL TSHR 2336/4885RAB9A 2362/4885ALDH1A1 122/4885
US-20080154047-A1 Process For the Preparation of Enantiomerically Pure1-Substitued-3-Aminoalcohols ADH1A, ADH1C, ALDH7A1 TSHR 3042/4885RAB9A 3538/4885ALDH1A1 17/4885

“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.