SCHEMBL5576246

SCHEMBL5576246

CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.56
NR3C1 P04150 10/20 0.47
NR3C2 P08235 4/20 0.43
PGR P06401 3/20 0.43
CASP1 P29466 2/20 0.43
CASP3 P42574 1/20 0.43
CASP4 P49662 1/20 0.43
CASP5 P51878 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
CASP10 Q92851 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ECE1 P42892 1/20 0.42

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
SCHEMBL7137705 1.00 CTSL (0.56) CTSLNR3C1NR3C2PGRCASP1
SCHEMBL14513406 1.00 CTSL (0.56) CTSLNR3C1NR3C2PGRCASP1
SCHEMBL29876236 1.00 CTSL (0.56) CTSLNR3C1NR3C2PGRCASP1
SCHEMBL2442227 1.00 CTSL (0.56) CTSLNR3C1NR3C2PGRCASP1
SCHEMBL7141467 0.98 CTSL (0.54) CTSLNR3C1NR3C2PGRCASP1
SCHEMBL7141464 0.98 CTSL (0.54) CTSLNR3C1NR3C2PGRCASP1
SCHEMBL14513411 0.92 CTSL (0.48) CTSLNR3C1NR3C2PGRSMN1; SMN2
SCHEMBL14513412 0.92 CTSL (0.48) CTSLNR3C1NR3C2PGRSMN1; SMN2
SCHEMBL8742438 0.90 CTSL (0.51) CTSLNR3C1NR3C2PGRCASP1
SCHEMBL8742444 0.90 CTSL (0.51) CTSLNR3C1NR3C2PGRCASP1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611756-B1 Alcohol or aldehyde derivatives as cathepsin L inhibitor and bone resorption inhibitor TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-07 EP claimed
US-5955491-A ADMINISTERING CATHEPSIN L INHIBITOR AND BONE RESORPTION INHIBITOR CONTAINING AN ALCOHOL OR ALDEHYDE DERIVATIVE, OR SALT THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US claimed
US-5498728-A OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-12 US claimed
EP-0611756-A2 Alcohol or aldehyde derivatives as cathepsin L inhibitor and bone resorption inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-24 EP claimed
JP-9208545-A None JP disclosed
JP-8283221-A None JP disclosed
JP-7101924-A None JP disclosed
US-11219670-B2 Targeting CAPN9/CAPNS2 activity as a therapeutic strategy for the treatment of myofibroblast differentiation and associated pathologies THE JOHNS HOPKINS UNIVERSITY (US) 2022-01-11 US disclosed
WO-2016037157-A2 TARGETING CAPN9/CAPNS2 ACTIVITY AS A THERAPEUTIC STRATEGY FOR THE TREATMENT OF MYOFIBROBLAST DIFFERENTIATION AND ASSOCIATED PATHOLOGIES THE JOHNS HOPKINS UNIVERSITY (US) 2016-03-10 WO disclosed
US-20070003522-A1 Methods and compositions for improved retroviral gene and drug delivery NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-01-04 US disclosed
EP-0611756-B1 Alcohol or aldehyde derivatives as cathepsin L inhibitor and bone resorption inhibitor TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-07 EP disclosed
US-5955491-A ADMINISTERING CATHEPSIN L INHIBITOR AND BONE RESORPTION INHIBITOR CONTAINING AN ALCOHOL OR ALDEHYDE DERIVATIVE, OR SALT THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US disclosed
US-5716980-A PROPHYLACTIC, THERAPY FOR OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
JP-H09208545-A ALCOHOL OR ALDEHYDE DERIVATIVE AND ITS USE TAKEDA CHEM IND LTD 1997-08-12 JP disclosed
US-5639781-A PREVENT REABSORPTION OF BONE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-06-17 US disclosed
JP-H08283221-A PRODUCTION OF ALDEHYDE DERIVATIVE TAKEDA CHEM IND LTD 1996-10-29 JP disclosed
EP-0731107-A1 Production of aldehyde derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-11 EP disclosed
US-5498728-A OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-12 US disclosed
JP-H07101924-A ALCOHOL OR ALDEHYDE DERIVATIVE AND ITS USE TAKEDA CHEM IND LTD 1995-04-18 JP disclosed
EP-0611756-A2 Alcohol or aldehyde derivatives as cathepsin L inhibitor and bone resorption inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-24 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 (1 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-11219670-B2 Targeting CAPN9/CAPNS2 activity as a therapeutic strategy for the treatment of myofibroblast differentiation and associated pathologies CAPN9, CAPNS1, CAPN2 CTSL 1444/4885NR3C1 3644/4885NR3C2 2904/4885

“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.