SCHEMBL25445027

SCHEMBL25445027

CC(C)(C)OC(=O)N[C@@H](CO)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.47
▸ CTSK P43235 3/20 0.47
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ ATM Q13315 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ PPARA Q07869 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL29770841 1.00 CTSS (0.47) CTSSCTSKROCK2ROCK1ATM
SCHEMBL10216947 0.89 CTSK (0.46) CTSSCTSKROCK2ROCK1ATM
SCHEMBL10216957 0.89 CTSS (0.43) CTSSCTSKROCK2ROCK1ATM
SCHEMBL1157183 0.86 CTSA (0.50) CTSSCTSK
SCHEMBL25445088 0.86 CTSS (0.46) CTSSCTSKATMPTPN1CTSL
SCHEMBL17841293 0.86 CTSA (0.50) CTSSCTSK
SCHEMBL3447675 0.85 CTSS (0.45) CTSSCTSKATMALDH1A1TSHR
SCHEMBL4663082 0.85 CTSK (0.47) CTSSCTSKATMPTPN1CTSL
SCHEMBL29747547 0.84 JAK2 (0.43) CTSSCTSKATMCTSLCTSB
SCHEMBL29748599 0.84 JAK2 (0.43) CTSSCTSKATMCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES CILAG AG (CH) 2024-05-30 — — US disclosed
EP-4284802-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 — — EP disclosed
US-20230144828-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONIST AND USE THEREOF SHANGHAI INNOFORTUNE BOITECH CO. LTD. (CN) 2023-05-11 — — US disclosed
WO-2022165530-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES JANSSEN BIOTECH, INC. (US) 2022-08-04 — — 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 (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-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES SIK2, SIK1, SGK2 CTSS 4076/4885CTSK 1178/4885ROCK2 338/4885
US-20230144828-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONIST AND USE THEREOF GNRHR, GHRHR, LHCGR CTSS 2411/4885CTSK 3016/4885ROCK2 3203/4885

“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.

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