SCHEMBL997986

SCHEMBL997986

N[C@H](Cc1ccccc1)C(=O)CCl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.66
ALPI P09923 1/20 0.66
PKM P14618 1/20 0.66
PTGS1 P23219 1/20 0.66
XIAP P98170 1/20 0.66
SLC7A5 Q01650 1/20 0.66
LTA4H P09960 1/20 0.62
SLC1A3 P43003 2/20 0.51
SLC1A2 P43004 2/20 0.51
SLC1A1 P43005 2/20 0.51
HDAC8 Q9BY41 2/20 0.50
ANPEP P15144 2/20 0.49
RNPEP Q9H4A4 1/20 0.49
DNPEP Q9ULA0 1/20 0.49
CYP1A2 P05177 1/20 0.48
EPHX1 P07099 1/20 0.48
CTSC P53634 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
NCOA1 Q15788 1/20 0.47

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
SCHEMBL996112 1.00 SLC15A1 (0.66) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL995791 1.00 SLC15A1 (0.66) SLC15A1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL4981923 0.98 SLC15A1 (0.64) SLC15A1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL1758457 0.98 SLC15A1 (0.64) SLC15A1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL6160157 0.84 LTA4H (0.61) LTA4HLAP3
SCHEMBL5060967 0.82 ALPI (0.68) SLC15A1ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL28138410 0.82 SLC7A5 (0.88) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL12323250 0.82 SLC7A5 (0.68) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL28110902 0.82 ALPI (0.68) SLC15A1ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL430395 0.81 SLC7A5 (0.79) SLC15A1ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3409765-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2021-08-04 EP disclosed
EP-3409765-A2 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS Codexis, Inc. (US) 2018-12-05 EP disclosed
EP-2446025-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2018-08-08 EP disclosed
US-9404092-B2 Ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2016-08-02 US disclosed
US-20160160187-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-06-09 US disclosed
US-9296992-B2 Ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2016-03-29 US disclosed
EP-2955233-A1 Proteinase K inhibitors, methods and compositions therefor Life Technologies Corporation (US) 2015-12-16 EP disclosed
US-20150240217-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-08-27 US disclosed
US-9114104-B2 Proteinase K inhibitors, methods and compositions therefor Life Technologies Corporation (US) 2015-08-25 US disclosed
US-9114104-B2 Proteinase K inhibitors, methods and compositions therefor Life Technologies Corporation (US) 2015-08-25 US disclosed
US-20130004941-A1 PROTEINASE K INHIBITORS, METHODS AND COMPOSITIONS THEREFOR Life Technologies Corporation (US) 2013-01-03 US disclosed
US-20130004941-A1 PROTEINASE K INHIBITORS, METHODS AND COMPOSITIONS THEREFOR Life Technologies Corporation (US) 2013-01-03 US disclosed
US-20120190086-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS, INC. (US) 2012-07-26 US disclosed
US-8211637-B2 Proteinase K inhibitors, methods and compositions therefor Life Technologies Corporation (US) 2012-07-03 US disclosed
US-8211637-B2 Proteinase K inhibitors, methods and compositions therefor Life Technologies Corporation (US) 2012-07-03 US disclosed
EP-2446025-A2 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS Codexis, Inc. (US) 2012-05-02 EP disclosed
WO-2011005527-A2 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS, INC. (US) 2011-01-13 WO disclosed
WO-2010071833-A1 PROTEINASE K INHIBITORS, METHODS AND COMPOSITIONS THEREFOR Life Technologies Corporation (US) 2010-06-24 WO disclosed
US-20100159482-A1 PROTEINASE K INHIBITORS, METHODS AND COMPOSITIONS THEREFOR Life Technologies Corporation (US) 2010-06-24 US disclosed
US-20100159482-A1 PROTEINASE K INHIBITORS, METHODS AND COMPOSITIONS THEREFOR Life Technologies Corporation (US) 2010-06-24 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-20130004941-A1 PROTEINASE K INHIBITORS, METHODS AND COMPOSITIONS THEREFOR CPSF7, CTSL, CTSK SLC15A1 3646/4885ALPI 2591/4885PKM 680/4885
US-20100159482-A1 PROTEINASE K INHIBITORS, METHODS AND COMPOSITIONS THEREFOR CPSF7, CTSL, CTSK SLC15A1 3646/4885ALPI 2591/4885PKM 680/4885

“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.