SCHEMBL16059281

SCHEMBL16059281

CC(C)[C@H](CNC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
ELANE P08246 2/20 0.53
PRTN3 P24158 1/20 0.53
CTSS P25774 8/20 0.52
CTSL P07711 7/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
CTSK P43235 5/20 0.51
CTSB P07858 5/20 0.51
SYK P43405 1/20 0.51
CTRB1 P17538 2/20 0.50

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
SCHEMBL16059278 1.00 ATM (0.53) ATMELANEPRTN3CTSSCTSL
SCHEMBL22370935 1.00 ATM (0.53) ATMELANEPRTN3CTSSCTSL
SCHEMBL17596414 0.88 CTSS (0.59) ATMELANEPRTN3CTSSCTSL
SCHEMBL17596415 0.88 CTSS (0.59) ATMELANEPRTN3CTSSCTSL
SCHEMBL30729578 0.86 CTSK (0.49) ATMELANEPRTN3CTSSCTSL
SCHEMBL23791954 0.86 TRPM8 (0.55) ATMELANEPRTN3CTSSCTSL
SCHEMBL2725000 0.86 SYK (0.71) ATMELANEPRTN3CTSSCTSL
SCHEMBL2723152 0.86 SYK (0.71) ATMELANEPRTN3CTSSCTSL
SCHEMBL2723154 0.86 SYK (0.71) ATMELANEPRTN3CTSSCTSL
SCHEMBL13489691 0.84 ATM (0.57) ATMELANEPRTN3CTSSCTSL

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
US-20210395259-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2021-12-23 US disclosed
US-10927120-B2 CDK inhibitors GI Therapeutics, Inc. (NC) 2021-02-23 US disclosed
US-20200277300-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2020-09-03 US disclosed
EP-2967050-A2 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 Therapeutics, Inc. (US) 2016-01-20 EP disclosed
WO-2014144740-A2 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2014-09-18 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 (3 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-20210395259-A1 CDK INHIBITORS CDK3, CDK9, CDK6 ATM 415/4885ELANE 4040/4885PRTN3 2320/4885
US-20200277300-A1 CDK INHIBITORS CDK3, CDK9, CDK6 ATM 415/4885ELANE 4040/4885PRTN3 2320/4885
US-10927120-B2 CDK inhibitors CDK3, CDK9, CDK6 ATM 415/4885ELANE 4040/4885PRTN3 2320/4885

“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.