SCHEMBL2845919

SCHEMBL2845919

COC(=O)[C@H](CCN)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.44
CTSS P25774 6/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KLK5 Q9Y337 1/20 0.41
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL15562626 1.00 CTSK (0.44) CTSKCTSSITGB3ITGA2BCYP1A2
Hydrochloric Acid SCHEMBL2845922 0.98 CTSK (0.43) CTSKCTSSITGB3ITGA2BCYP1A2
Hydrochloric Acid SCHEMBL2845915 0.98 CTSK (0.43) CTSKCTSSITGB3ITGA2BCYP1A2
SCHEMBL2620497 0.92 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL9555164 0.92 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL14366085 0.90 ITGB3 (0.50) CTSKCTSSITGB3ITGA2BCYP1A2
SCHEMBL6646260 0.90 ITGB3 (0.50) CTSKCTSSITGB3ITGA2BCYP1A2
Hydrochloric Acid SCHEMBL18983293 0.90 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL1094813 0.90 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL2324580 0.89 ITGB3 (0.54) CTSKCTSSITGB3ITGA2BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023283595-A2 INTEGRIN TARGETING LIGANDS FOR OCULAR DELIVERY OF RNAI COMPOUNDS ALNYLAM PHARMACEUTICALS, INC. (US) 2023-01-12 WO disclosed
US-20150150995-A1 CONJUGATED ANTI-MICROBIAL COMPOUNDS AND CONJUGATED ANTI-CANCER COMPOUNDS AND USES THEREOF PONO CORPORATION (US) 2015-06-04 US disclosed
US-20150150995-A1 CONJUGATED ANTI-MICROBIAL COMPOUNDS AND CONJUGATED ANTI-CANCER COMPOUNDS AND USES THEREOF PONO CORPORATION (US) 2015-06-04 US disclosed
WO-2014026143-A1 CONJUGATED ANTI-MICROBIAL COMPOUNDS AND CONJUGATED ANTI-CANCER COMPOUNDS AND USES THEREOF PONO CORPORATION (US) 2014-02-13 WO disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 EP disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
EP-2119718-A1 MACROCYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2009-11-18 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-20100056510-A1 Macrocyclic Compound HSP90AB1, HSP90B1, HSP90AA1 CTSK 1404/4885CTSS 880/4885ITGB3 4071/4885
US-20150150995-A1 CONJUGATED ANTI-MICROBIAL COMPOUNDS AND CONJUGATED ANTI-CANCER COMPOUNDS AND USES THEREOF CD47, BCR, PGLS CTSK 1629/4885CTSS 1324/4885ITGB3 3411/4885

“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.