SCHEMBL29979228

SCHEMBL29979228

CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.51
CTSS P25774 10/20 0.51
CTSL P07711 3/20 0.44
CTSB P07858 2/20 0.44
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 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
SCHEMBL24815329 0.87 CTSK (0.67) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL18467225 0.87 CTSK (0.67) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL12668952 0.86 CTSK (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL14984662 0.86 CTSK (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL7762815 0.85 CTSK (0.50) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL7762812 0.85 CTSK (0.50) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL24924765 0.85 CTSK (0.54) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL24815289 0.84 CTSK (0.53) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL16976277 0.84 CTSK (0.49) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL13560716 0.84 CTSK (0.68) CTSKCTSSHDAC4HDAC1HDAC6

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-12065445-B2 CDK2 inhibitors and methods of using the same CEDILLA THERAPEUTICS, INC. (US) 2024-08-20 US disclosed
US-20240174680-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-05-30 US disclosed
EP-4284365-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2023-12-06 EP disclosed
US-20230109076-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-06 US disclosed
WO-2022165513-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, 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 (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-20240174680-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 CTSK 2237/4885CTSS 2818/4885CTSL 2056/4885
US-20230109076-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 CTSK 2237/4885CTSS 2818/4885CTSL 2056/4885
US-12065445-B2 CDK2 inhibitors and methods of using the same CDK2, CDK20, CDK1 CTSK 2775/4885CTSS 3268/4885CTSL 2444/4885

“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.