SCHEMBL3637756

SCHEMBL3637756

CCOC(=O)C(N)C(O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.45
GRM4 Q14833 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL5013214 1.00 LMNA (0.46) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL1835877 1.00 LMNA (0.46) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL2996166 0.85 LMNA (0.48) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL25588104 0.84 LMNA (0.44) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL19859189 0.83 CA12 (0.46) GRM4CA12CA1CA2CA9
SCHEMBL13896753 0.83 MEN1 (0.43) LMNAMEN1KMT2APTGS1
Hydrochloric Acid SCHEMBL19859289 0.82 CA12 (0.44) GRM4CA12CA1CA2CA9
SCHEMBL25588108 0.81 LMNA (0.42) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL28558589 0.80 CA12 (0.47) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL21914796 0.80 CA12 (0.47) LMNATSHRMEN1CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894311-B Preparation of ethyl (2S, 3R) -2-amino-3-hydroxy-3- (4- (methylsulfonyl) phenyl) propionate 天津工微生物科技有限公司 2023-05-30 CN disclosed
CN-115894311-A Preparation of ethyl (2R, 3S) -2-amino-3-hydroxy-3- (4- (methylsulfonyl) phenyl) propionate 天津工微生物科技有限公司 2023-04-04 CN disclosed
CN-115073333-A Racemization method based on active copper molecular sieve 江苏八巨药业有限公司 2022-09-20 CN disclosed
EP-2155702-A1 A PROCESS FOR PREPARING OXAZOLINE-PROTECTED AMINODIOL COMPOUNDS USEFUL AS INTERMEDIATES TO FLORFENICOL Schering-Plough Ltd. (CH) 2010-02-24 EP disclosed
US-20080319200-A1 PROCESS FOR PREPARING OXAZOLINE-PROTECTED AMINODIOL COMPOUNDS USEFUL AS INTERMEDIATES TO FLORFENICOL SCHERING-PLOUGH ANIMAL HEALTH CORP. 2008-12-25 US disclosed
WO-2008150406-A1 A PROCESS FOR PREPARING OXAZOLINE-PROTECTED AMINODIOL COMPOUNDS USEFUL AS INTERMEDIATES TO FLORFENICOL SCHERING-PLOUGH LTD. (CH) 2008-12-11 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 (1 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-20080319200-A1 PROCESS FOR PREPARING OXAZOLINE-PROTECTED AMINODIOL COMPOUNDS USEFUL AS INTERMEDIATES TO FLORFENICOL PFAS, DHFR, DDC LMNA 1663/4885TSHR 4348/4885MEN1 1466/4885

“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.