Sugi Predict

Sugi Predict / Compounds / SCHEMBL22764035

SCHEMBL22764035

SCHEMBL22764035

CC(=O)NCC(O)c1ccc2c(c1)OC(C)(C)O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ CYP1A2 P05177 4/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ADRB2 P07550 5/20 0.39
▸ ADRB3 P13945 4/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ ADRA2B P18089 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ ADRA1D P25100 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ ADRA1B P35368 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALOX15 P16050 3/20 0.38
▸ ALOX12 P18054 2/20 0.37
▸ TSHR P16473 4/20 0.37

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
SCHEMBL22764032 0.78 AOC3 (0.45) NPC1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL21709171 0.76 ASAH1 (0.34) NPC1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL21709172 0.76 BLM (0.47) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL925596 0.75 ADRB2 (0.41) NPC1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL925593 0.75 ADRB2 (0.41) NPC1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2831936 0.75 ADRB2 (0.41) NPC1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28731919 0.75 NPC1 (0.37) NPC1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL328571 0.73 TDP1 (0.65) NPC1CYP1A2CYP2C19ALDH1A1ADRB2
SCHEMBL9141282 0.72 ALOX15 (0.50) NPC1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL22763953 0.71 CTNNB1 (0.43) NPC1CYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053227-B2 Process for preparing intermediates for the synthesis of optically active beta-amino alcohols by enzymatic reduction and novel synthesis intermediates OLON S.P.A. (IT) 2021-07-06 — — US disclosed
US-20200385366-A1 PROCESS FOR PREPARING INTERMEDIATES FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS BY ENZYMATIC REDUCTION AND NOVEL SYNTHESIS INTERMEDIATES OLON S.P.A. (IT) 2020-12-10 — — US 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-20200385366-A1 PROCESS FOR PREPARING INTERMEDIATES FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS BY ENZYMATIC REDUCTION AND NOVEL SYNTHESIS INTERMEDIATES ADH1A, ADH1C, ADH5 NPC1 3356/4885CYP1A2 37/4885CYP2C9 175/4885
US-11053227-B2 Process for preparing intermediates for the synthesis of optically active beta-amino alcohols by enzymatic reduction and novel synthesis intermediates ADH1A, ADH1C, ADH5 NPC1 3356/4885CYP1A2 37/4885CYP2C9 175/4885

“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.