Sugi Predict

Sugi Predict / Compounds / SCHEMBL98019

SCHEMBL98019

SCHEMBL98019

CNCC[C@H](O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 8/20 0.49
▸ SLC6A4 P31645 8/20 0.49
▸ SLC6A3 Q01959 8/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MLNR O43193 1/20 0.48
▸ CACNA1F O60840 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ KCNE1 P15382 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ MC4R P32245 1/20 0.48

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
SCHEMBL1201347 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KMT2AMLNR
SCHEMBL165478 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KMT2AMLNR
Methylamine SCHEMBL6327312 0.97 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KMT2AMLNR
SCHEMBL4139336 0.92 KMT2A (0.46) SLC6A2SLC6A4SLC6A3KMT2AMLNR
SCHEMBL12546727 0.88 KMT2A (0.44) SLC6A2SLC6A4SLC6A3KMT2AMLNR
SCHEMBL12546791 0.88 KMT2A (0.44) SLC6A2SLC6A4SLC6A3KMT2AMLNR
SCHEMBL13536715 0.86 KMT2A (0.46) SLC6A2SLC6A4SLC6A3KMT2AMLNR
Mandelic Acid SCHEMBL6378790 0.85 LMNA (0.46) SLC6A2SLC6A4SLC6A3KMT2AMLNR
Mandelic Acid SCHEMBL6376919 0.85 LMNA (0.46) SLC6A2SLC6A4SLC6A3KMT2AMLNR
SCHEMBL14353971 0.83 KMT2A (0.46) SLC6A2SLC6A4SLC6A3KMT2ACYP3A4

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 575 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12365927-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2025-07-22 — — US claimed
CN-119685420-A Method for preparing (S) -3-methylamino-1- (2-thienyl) -1-propanol by asymmetric reduction of alcohol dehydrogenase 瑞博(苏州)制药有限公司 2025-03-25 — — CN claimed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 — — US claimed
CN-117645597-A Method for synthesizing key chiral intermediate of duloxetine by asymmetric form hydroamination 江苏恒盛药业有限公司 2024-03-05 — — CN claimed
US-20230104779-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2023-04-06 — — US claimed
US-11512332-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2022-11-29 — — US claimed
US-20200340025-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-10-29 — — US claimed
US-10752926-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2020-08-25 — — US claimed
US-10724008-B2 Ketoreductases C-LECTA GMBH (DE) 2020-07-28 — — US claimed
CN-109535123-A A kind of preparation method of (S) -3- methylamino -1- (2- thienyl) -1- propyl alcohol 凯瑞斯德生化(苏州)有限公司 2019-03-29 — — CN claimed
US-20040249170-A1 Process for preparing an intermediate useful for the asymmetric synthesis of duloxetine BORGHESE ALFIO (BE) 2004-12-09 — — US claimed
EP-1478641-A1 PROCESS FOR PREPARING AN INTERMEDIATE USEFUL FOR THE ASYMMETRIC SYNTHESIS OF DULOXETINE ELI LILLY AND COMPANY (US) 2004-11-24 — — EP claimed
WO-2004090094-A2 L-CARNITIN DEHYDROGENASES, THEIR DERIVATIVES AND METHOD FOR PRODUCING SUBSTITUTED (S) ALKANOLS BASF AKTIENGESELLSCHAFT (DE) 2004-10-21 — — WO claimed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 — — US claimed
WO-2004065376-A1 3-METHYLAMINO-1-(2-THIENYL)-1-PROPANONE, PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-08-05 — — WO claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 — — CN claimed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 — — EP claimed
WO-2004020389-A1 METHOD FOR THE ENANTIOSELECTIVE HYDROGENATION OF AMINO ALCOHOLS MERCK PATENT GMBH (DE) 2004-03-11 — — WO claimed
WO-2004005307-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 3-N-METHYLAMINO-1-(2-THIENYL)-1-PROPANOL LONZA AG (CH) 2004-01-15 — — WO claimed
WO-2003062219-A1 PROCESS FOR PREPARING AN INTERMEDIATE USEFUL FOR THE ASYMMETRIC SYNTHESIS OF DULOXETINE ELI LILLY AND COMPANY (US) 2003-07-31 — — WO claimed

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-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR SLC6A2 1405/4885SLC6A4 1298/4885SLC6A3 874/4885
US-20040249170-A1 Process for preparing an intermediate useful for the asymmetric synthesis of duloxetine PNMT, HTR1A, TPH1 SLC6A2 119/4885SLC6A4 95/4885SLC6A3 128/4885

“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.