SCHEMBL175382

SCHEMBL175382

CNCC(=O)Cc1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
ALDH1A1 P00352 4/20 0.53
POLB P06746 9/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 2/20 0.48
PKM P14618 2/20 0.48
BLM P54132 2/20 0.48
NPC1 O15118 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAPDH P04406 1/20 0.46
MAPT P10636 1/20 0.46
APEX1 P27695 1/20 0.46
PTPN7 P35236 1/20 0.46
RECQL P46063 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46

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
Hydrochloric Acid SCHEMBL6829216 0.98 HPGD (0.51) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL7353467 0.82 HPGD (0.60) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL5045391 0.79 HPGD (0.53) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL7537697 0.78 HPGD (0.56) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL5495002 0.78 HPGD (0.66) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL3223780 0.77 HPGD (0.55) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL15178187 0.76 HPGD (0.50) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL4775992 0.76 HPGD (0.53) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL1294785 0.76 CTSK (0.50) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL27847201 0.76 HPGD (0.53) HPGDALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455223-B2 Reducing substituted alkanones such as 3-methylamino-1-(2-thienyl)-propan-1-one; biosynthesis; expression cassettes; host cells; for production of duloxetine BASF SE (DE) 2013-06-04 US claimed
US-20080220484-A1 Novel Dehydrogenases, the Derivatives thereof, and Method for the Production of Optically Active Alkanols BASF AKTIENGESELLSCHAFT (DE) 2008-09-11 US claimed
EP-1929001-A1 NOVEL DEHYDROGENASES, THE DERIVATIVES THEREOF, AND METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE ALKANOLS BASF SE (DE) 2008-06-11 EP claimed
EP-1613745-B1 L-CARNITIN DEHYDROGENASES, THEIR DERIVATIVES AND METHOD FOR PRODUCING SUBSTITUTED (S) ALKANOLS BASF SE (DE) 2008-03-19 EP claimed
WO-2007033928-A1 NOVEL DEHYDROGENASES, THE DERIVATIVES THEREOF, AND METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE ALKANOLS BASF SE (DE) 2007-03-29 WO claimed
US-20060211099-A1 L-carnitin dehydrogenases, their derivatives and method for producing substituted (s) alkanols BASF AKTIENGESELLSCHAFT (DE) 2006-09-21 US claimed
EP-1613745-A2 L-CARNITIN DEHYDROGENASES, THEIR DERIVATIVES AND METHOD FOR PRODUCING SUBSTITUTED (S) ALKANOLS BASF AKTIENGESELLSCHAFT (DE) 2006-01-11 EP claimed
US-6984738-B2 Process for production of optically active amino alcohols YOKOZAWA TOHRU 2006-01-10 US claimed
WO-2004090094-A2 L-CARNITIN DEHYDROGENASES, THEIR DERIVATIVES AND METHOD FOR PRODUCING SUBSTITUTED (S) ALKANOLS BASF AKTIENGESELLSCHAFT (DE) 2004-10-21 WO claimed
CN-114790146-B Preparation method of 3- (methylamino) -1-aryl acetone 河南省科学院高新技术研究中心 2024-03-29 CN disclosed
CN-114790146-A Preparation method of 3- (methylamino) -1-aryl acetone 河南省科学院高新技术研究中心 2022-07-26 CN disclosed
CN-110964703-B Enzyme for preparing intermediate of antidepressant duloxetine, biocatalysis method and application thereof 南京朗恩生物科技有限公司 2021-12-31 CN disclosed
CN-110951704-B Alcohol dehydrogenase mutant with enhanced thermal stability and sequence thereof 南京朗恩生物科技有限公司 2021-07-27 CN disclosed
CN-110938609-B Ketoreductase mutant with enhanced activity and application thereof 南京朗恩生物科技有限公司 2021-07-23 CN disclosed
US-20060211099-A1 L-carnitin dehydrogenases, their derivatives and method for producing substituted (s) alkanols BASF AKTIENGESELLSCHAFT (DE) 2006-09-21 US disclosed
WO-2006094945-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOLS BY MEANS OF ENZYMATIC REDUCTION BASF AKTIENGESELLSCHAFT (DE) 2006-09-14 WO disclosed
CN-1771323-A L-carnitin dehydrogenases, their derivatives and method for producing substituted (s) alkanols BASF AG (DE) 2006-05-10 CN disclosed
EP-1613745-A2 L-CARNITIN DEHYDROGENASES, THEIR DERIVATIVES AND METHOD FOR PRODUCING SUBSTITUTED (S) ALKANOLS BASF AKTIENGESELLSCHAFT (DE) 2006-01-11 EP disclosed
WO-2005108590-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOLS FROM ALKANONES USING A DEHYDROGENASE OF AZOARCUS BASF AKTIENGESELLSCHAFT (DE) 2005-11-17 WO disclosed
WO-2004090094-A2 L-CARNITIN DEHYDROGENASES, THEIR DERIVATIVES AND METHOD FOR PRODUCING SUBSTITUTED (S) ALKANOLS BASF AKTIENGESELLSCHAFT (DE) 2004-10-21 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-20080220484-A1 Novel Dehydrogenases, the Derivatives thereof, and Method for the Production of Optically Active Alkanols ALDH7A1, ALDH3A1, ADH5 HPGD 183/4885ALDH1A1 8/4885POLB 255/4885
US-20060211099-A1 L-carnitin dehydrogenases, their derivatives and method for producing substituted (s) alkanols ALDH7A1, ALDH3A1, AMPD3 HPGD 346/4885ALDH1A1 16/4885POLB 529/4885

“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.