SCHEMBL6623922

SCHEMBL6623922

C#CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.44
CTSS P25774 10/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CYP2D6 P10635 1/20 0.39

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
SCHEMBL19373028 1.00 CTSK (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL6624042 0.85 CA1 (0.43) CTSKCTSSCA1CA2CA7
SCHEMBL18681498 0.85 CA1 (0.43) CTSKCTSSCA1CA2CA7
SCHEMBL20750960 0.85 CA1 (0.43) CTSKCTSSCA1CA2CA7
SCHEMBL23736310 0.80 CA1 (0.40) CTSKCTSSCA1CA2CA7
SCHEMBL1106536 0.78 CA1 (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL4217171 0.78 CA1 (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL29610548 0.78 CA1 (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL24301038 0.78 CTSK (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL20029331 0.78 CTSK (0.46) CTSKCTSSCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
US-20230348405-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSTY 2023-11-02 US disclosed
US-11661402-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2023-05-30 US disclosed
US-9776977-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 US disclosed
US-9776977-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 US disclosed
EP-3222617-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF The Johns Hopkins University (US) 2017-09-27 EP disclosed
EP-2408755-B1 Urea-based peptide compounds useful for detecting inter alia prostate cancer UNIV JOHNS HOPKINS (US) 2017-05-03 EP disclosed
US-9056841-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-16 US disclosed
US-9056841-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-16 US disclosed
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-16 US disclosed
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-16 US disclosed
US-20120009121-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2012-01-12 US disclosed
WO-2010108125-A2 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2010-09-23 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 (4 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-20120009121-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 CTSK 579/4885CTSS 592/4885CA1 474/4885
US-20230348405-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF KLK3, FOLH1, SPR CTSK 535/4885CTSS 504/4885CA1 108/4885
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 CTSK 579/4885CTSS 592/4885CA1 474/4885
US-11661402-B2 PSMA-targeting compounds and uses thereof KLK3, FOLH1, SPR CTSK 535/4885CTSS 504/4885CA1 108/4885

“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.