SCHEMBL495756

SCHEMBL495756

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)CCl

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.65
ATM Q13315 1/20 0.55
PSEN1 P49768 3/20 0.54
PSEN2 P49810 3/20 0.54
APH1B Q8WW43 3/20 0.54
NCSTN Q92542 3/20 0.54
APH1A Q96BI3 3/20 0.54
PSENEN Q9NZ42 3/20 0.54
APP P05067 1/20 0.53
CTSS P25774 3/20 0.53
CTSK P43235 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
ACE P12821 1/20 0.51
REN P00797 1/20 0.50

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
SCHEMBL3984508 1.00 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL5171370 1.00 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL495758 1.00 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL1481008 1.00 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL638912 1.00 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL640670 1.00 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL13537629 0.90 KLK5 (0.55) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL6158017 0.90 KLK5 (0.55) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL6158094 0.90 KLK5 (0.55) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL6158009 0.90 KLK5 (0.55) KLK5ATMPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111662889-B Ketoreductase mutant for producing darunavir intermediate 南京朗恩生物科技有限公司 2022-03-04 CN claimed
CN-111705043-B Ketoreductase mutant with improved catalytic activity and application thereof 南京朗恩生物科技有限公司 2022-03-04 CN claimed
CN-111690696-B Method for preparing darunavir intermediate through biocatalysis 南京朗恩生物科技有限公司 2021-12-31 CN claimed
EP-3409765-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2021-08-04 EP claimed
CN-111705043-A Ketoreductase mutant with improved catalytic activity and application thereof 南京朗恩生物科技有限公司 2020-09-25 CN claimed
CN-111690696-A Method for preparing darunavir intermediate through biocatalysis 南京朗恩生物科技有限公司 2020-09-22 CN claimed
CN-111662889-A Ketoreductase mutant for producing darunavir intermediate 南京朗恩生物科技有限公司 2020-09-15 CN claimed
EP-2446025-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2018-08-08 EP claimed
CN-105152978-B A kind of preparation method of the butanol of 3 tert-butoxycarbonylamino of (2R, 3S) 1 chlorine, 4 phenyl 2 上海应用技术学院 2017-08-25 CN claimed
CN-109942514-B Method for preparing azalazavir sulfate intermediate 淮海工学院 2022-09-09 CN disclosed
CN-109943542-B Alcohol dehydrogenase for producing atazanavir intermediate 南京诺云生物科技有限公司 2022-07-12 CN disclosed
CN-111662889-B Ketoreductase mutant for producing darunavir intermediate 南京朗恩生物科技有限公司 2022-03-04 CN disclosed
CN-111705043-B Ketoreductase mutant with improved catalytic activity and application thereof 南京朗恩生物科技有限公司 2022-03-04 CN disclosed
CN-111662889-B Ketoreductase mutant for producing darunavir intermediate 南京朗恩生物科技有限公司 2022-03-04 CN disclosed
US-20020035288-A1 Process for producing alpha-aminoketones AJINOMOTO CO., INC. (JP) 2002-03-21 US disclosed
US-20020013499-A1 Process for producing alpha-aminoketones AJINOMOTO CO., INC. (JP) 2002-01-31 US disclosed
EP-1148046-A1 PROCESS FOR THE PREPARATION OF ALPHA-AMINOKETONES Ajinomoto Co., Inc. (JP) 2001-10-24 EP disclosed
US-6255522-B1 USING AS REDUCING AGENT A REACTION PRODUCT OF ORGANOALUMINUM COMPOUND, SULFONATE AND ALCOHOL KANEKA CORPORATION (JP) 2001-07-03 US disclosed
EP-1081133-A1 Method for producing N-carbamate-protected beta-aminoepoxide and beta-aminoalcohol Ajinomoto Co., Inc. (JP) 2001-03-07 EP disclosed
EP-0969000-A1 PROCESS FOR REDUCING $G(a)-AMINO KETONES KANEKA CORPORATION (JP) 2000-01-05 EP 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-20020035288-A1 Process for producing alpha-aminoketones AAAS, BCKDK, KHK KLK5 123/4885ATM 1421/4885PSEN1 3086/4885
US-20020013499-A1 Process for producing alpha-aminoketones AADAT, BCAT2, BCKDK KLK5 614/4885ATM 325/4885PSEN1 4089/4885

“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.