SCHEMBL3132344

SCHEMBL3132344

O=C[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.66
CTRB1 P17538 2/20 0.61
CTSL P07711 2/20 0.55
TACR1 P25103 2/20 0.54
CAPN1 P07384 3/20 0.54
CTSS P25774 1/20 0.54

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
SCHEMBL3337955 1.00 CTSB (0.66) CTSBCTRB1CTSLTACR1CAPN1
SCHEMBL630290 1.00 CTSB (0.66) CTSBCTRB1CTSLTACR1CAPN1
SCHEMBL3132335 0.94 CTSB (0.60) CTSBCTRB1CTSLTACR1CAPN1
SCHEMBL7436543 0.94 CTSB (0.60) CTSBCTRB1CTSLTACR1CAPN1
SCHEMBL14884508 0.93 CTSB (0.59) CTSBCTRB1CTSLTACR1CTSS
SCHEMBL7214968 0.92 CTSB (0.58) CTSBCTRB1CTSLCAPN1CTSS
SCHEMBL3132690 0.90 ATM (0.61) CTSBCTRB1CTSLCTSS
SCHEMBL13725177 0.90 CTSB (0.62) CTSBCTRB1CTSL
SCHEMBL2736217 0.89 CTSL (0.62) CTSBCTRB1CTSLTACR1CTSS
SCHEMBL7310419 0.89 CTSL (0.62) CTSBCTRB1CTSLTACR1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670305-B1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXY-1-PROPANOL DERIVATIVE KANEKA CORP (JP) 1998-05-20 EP claimed
US-5744630-A Method of producing 3-amino-2-hydroxy-1-propanol derivatives KANEKA CORPORATION (JP) 1998-04-28 US claimed
EP-0670305-A1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXY-1-PROPANOL DERIVATIVE KANEKA CORPORATION (JP) 1995-09-06 EP claimed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-1491537-B1 HYDROXYMORPHOLINONE DERIVATIVE AND MEDICINAL USE THEREOF SENJU PHARMA CO (JP) 2010-07-07 EP disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 US disclosed
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 WO disclosed
EP-0365992-A1 Heterocyclic peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-05-02 EP disclosed
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed
US-4240975-A USED AS ENZYME INHIBITOR, ANTIFERTILITY AGENT, AND ENHANCES THE ANTITUMOR EFFECT OF BLEOMYCIN ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-12-23 US disclosed
US-4189604-A PEPTIDASE ENZYME INHIBITORS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-02-19 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 CTSB 160/4885CTRB1 2167/4885CTSL 174/4885
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK CTSB 2727/4885CTRB1 2545/4885CTSL 3939/4885

“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.