SCHEMBL5652297

SCHEMBL5652297

O=C1NC(Cc2ccccc2)C(C(=O)O)O1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.44
CTRB1 P17538 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
FASN P49327 1/20 0.36
CTSD P07339 1/20 0.35
EP300 Q09472 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL6569671 1.00 OPRL1 (0.44) OPRL1CTRB1TSHRHTTFASN
SCHEMBL10420330 1.00 OPRL1 (0.44) OPRL1CTRB1TSHRHTTFASN
SCHEMBL7838610 1.00 OPRL1 (0.44) OPRL1CTRB1TSHRHTTFASN
SCHEMBL6875994 0.86 OPRL1 (0.36) OPRL1
SCHEMBL740389 0.86 OPRL1 (0.36) OPRL1
SCHEMBL740390 0.86 OPRL1 (0.36) OPRL1
SCHEMBL740391 0.86 OPRL1 (0.36) OPRL1
SCHEMBL13172946 0.86 OPRL1 (0.36) OPRL1
SCHEMBL13534719 0.85 OPRL1 (0.42) OPRL1CTRB1FASN
SCHEMBL10510512 0.84 CYP2D6 (0.47) OPRL1

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-7307184-B2 Processes for preparing oxazolidinone derivatives of β-hydroxyethlamine compounds and for preparing β-hydroxyethlamine compounds KANEKA CORPORATION (JP) 2007-12-11 US claimed
US-20040181074-A1 Process for producing oxazolidinone derivative of beta-hydroxyethylamine compound and for producing beta-hydroxyethlamine compound KANEKA CORPORATION (JP) 2004-09-16 US claimed
EP-1403257-A1 PROCESSES FOR PRODUCING OXAZOLIDINONE DERIVATIVE OF BETA-HYDROXYETHYLAMINE COMPOUND AND FOR PRODUCING BETA-HYDROXYETHYLAMINE COMPOUND KANEKA CORPORATION (JP) 2004-03-31 EP claimed
CN-1159185-A Method for producing beta-amino alcohol HOFFMANN LA ROCHE (CH) 1997-09-10 CN claimed
US-6806384-B2 VIA TREATING N-CARBAMATE-PROTECTED BETA-AMINOEPOXIDE WITH ACID FORMING 5-HYDROXYMETHYL-2-OXAZOLIDINONE, THEN OXIDIZING IN 2,2,6,6-TETRAMETHYL-1-PIPERIDINYLOXY AND HYPOCHLORITE FORMING 4-BENZYL-2-OXO-5-OXAZOLIDINECARBOXYLIC ACID; CRYSTALLIZATION AJINOMOTO CO., INC. (JP) 2004-10-19 US disclosed
JP-2002371044-A METHOD FOR MANUFACTURING β-AMINO-α-HYDROXYCARBOXYLIC ACID AJINOMOTO CO INC 2002-12-26 JP disclosed
US-20020151722-A1 Production method of beta-amino-alpha-hydroxycarboxylic acid AJINOMOTO CO. INC (JP) 2002-10-17 US disclosed
EP-0778827-B1 PROCESS FOR PRODUCING A BETA-AMINO ALCOHOL DEGUSSA (DE) 2001-12-12 EP disclosed
US-5994555-A (4S,5S)-4-BENZYL-2-OXO-OXAZOLIDINE-5-CARBOXYLIC ACID FROM PHENYLALANINE AND PHTHALIC ANHYDRIDE F. HOFFMAN-LAROCHE AG (CH) 1999-11-30 US disclosed
US-5859248-A Process for the production of a β-amino alcohol F. HOFFMAN-LA ROCHE AG (CH) 1999-01-12 US disclosed
CN-1159185-A Method for producing beta-amino alcohol HOFFMANN LA ROCHE (CH) 1997-09-10 CN disclosed
EP-0778827-A1 PROCESS FOR PRODUCING A BETA-AMINO ALCOHOL F. HOFFMANN-LA ROCHE AG (CH) 1997-06-18 EP disclosed
WO-1996007642-A1 PROCESS FOR PRODUCING A β-AMINO ALCOHOL F. HOFFMANN-LA ROCHE AG (DE) 1996-03-14 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 (2 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-20020151722-A1 Production method of beta-amino-alpha-hydroxycarboxylic acid HAO2, HAAO, DAO OPRL1 2671/4885CTRB1 2273/4885TSHR 4414/4885
US-20040181074-A1 Process for producing oxazolidinone derivative of beta-hydroxyethylamine compound and for producing beta-hydroxyethlamine compound HNMT, PNMT, HRH4 OPRL1 317/4885CTRB1 4138/4885TSHR 4460/4885

“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.