SCHEMBL29979740

SCHEMBL29979740

C[C@@H](OCC1CCCCC1)[C@@H](COC(F)(F)F)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.42
CTSS P25774 2/20 0.42
CACNA1B Q00975 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
EPHX1 P07099 1/20 0.38
KMT2A Q03164 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
REN P00797 5/20 0.35
CTSD P07339 1/20 0.34
CTSE P14091 1/20 0.34
GAA P10253 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33

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
SCHEMBL27258772 0.88 BACE1 (0.37) CTSKCTSSEPHX1RENSLC1A3
SCHEMBL29979981 0.87 CACNA1B (0.50) CTSKCTSSCACNA1BCA1CA2
SCHEMBL27393187 0.85 SLC1A3 (0.35) CTSKCTSSEPHX1RENCTSL
SCHEMBL29979899 0.84 CTSK (0.46) CTSKCTSSCACNA1BCA1CA2
SCHEMBL24814531 0.77 CTSK (0.48) CTSKCTSSCACNA1BCA1CA2
SCHEMBL24814256 0.77 CTSK (0.48) CTSKCTSSCACNA1BCA1CA2
SCHEMBL27284316 0.77 ACACB (0.39)
SCHEMBL27266541 0.76 CTSK (0.45) CTSKCTSSCACNA1BCA1CA2
SCHEMBL24814258 0.75 CTSK (0.46) CTSKCTSSCACNA1BCA1CA2
SCHEMBL24814527 0.75 CTSK (0.46) CTSKCTSSCACNA1BCA1CA2

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 2818/4885CACNA1B 4494/4885
US-20230109076-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 CTSK 2237/4885CTSS 2818/4885CACNA1B 4494/4885
US-12065445-B2 CDK2 inhibitors and methods of using the same CDK2, CDK20, CDK1 CTSK 2775/4885CTSS 3268/4885CACNA1B 4292/4885

“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.