SCHEMBL7973604

SCHEMBL7973604

CNC(C(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.40
CTSS P25774 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
ABCB1 P08183 3/20 0.39
NPR3 P17342 1/20 0.38
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
DGAT1 O75907 1/20 0.35
CYP2D6 P10635 1/20 0.35
PREP P48147 1/20 0.35
TRPA1 O75762 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7973606 1.00 CTSK (0.40) CTSKCTSSCA1CA2CA7
SCHEMBL22787789 1.00 CTSK (0.40) CTSKCTSSCA1CA2CA7
SCHEMBL16684109 0.88 CA1 (0.37) CTSKCTSSCA1CA2CA7
SCHEMBL22424760 0.87 CTSS (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL10241566 0.85 CA12 (0.35) CTSKCTSSCA1CA2CA7
SCHEMBL10241539 0.85 CA12 (0.35) CTSKCTSSCA1CA2CA7
SCHEMBL3958726 0.84 CTSK (0.36) CTSKCTSSCA1CA2CA7
SCHEMBL15173530 0.83 CTSK (0.40) CTSKCTSSCA1CA2CA7
SCHEMBL15173531 0.83 CTSK (0.40) CTSKCTSSCA1CA2CA7
SCHEMBL23901493 0.82 CA12 (0.33) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693509-A Macrocyclic compounds for the treatment of cancer 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
WO-2023208005-A1 CYCLIC COMPOUNDS, PREPARATION METHODS AND MEDICINAL USES THEREOF HANSOH BIO LLC (US) 2023-11-02 WO disclosed
WO-2020168017-A1 COMPOSITIONS CONTAINING, METHODS AND USES OF ANTIBODY-TLR AGONIST CONJUGATES AMBRX, INC. (US) 2020-08-20 WO disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-6271252-B1 ASTHMA THERAPY, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS,MULTIPLE SCLEROSIS, AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-08-07 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 (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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 CTSK 3637/4885CTSS 4560/4885CA1 2802/4885

“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.