SCHEMBL29979082

SCHEMBL29979082

CNC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.76
CTSS P25774 6/20 0.75
PPARG P37231 2/20 0.66
KLK7 P49862 2/20 0.59
KLK5 Q9Y337 2/20 0.59
RAB9A P51151 1/20 0.57
CTSK P43235 4/20 0.54
CTSB P07858 2/20 0.54
CTSL P07711 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
REN P00797 1/20 0.52
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.49
MMP14 P50281 1/20 0.49
ACE P12821 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49

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
SCHEMBL7104052 0.90 CTSS (0.72) PPARACTSSPPARGKLK7KLK5
SCHEMBL3683228 0.90 CTSS (0.75) PPARACTSSPPARGKLK7KLK5
SCHEMBL1447031 0.89 CTSS (0.73) PPARACTSSPPARGKLK7KLK5
SCHEMBL824968 0.89 CTSS (0.73) PPARACTSSPPARGKLK7KLK5
SCHEMBL1132901 0.88 PPARA (0.90) PPARACTSSPPARGKLK7KLK5
SCHEMBL17051 0.88 PPARA (0.90) PPARACTSSPPARGKLK7KLK5
SCHEMBL828674 0.88 PPARA (0.90) PPARACTSSPPARGKLK7KLK5
SCHEMBL11985033 0.88 CTSS (0.79) PPARACTSSPPARGKLK7KLK5
SCHEMBL8434087 0.88 PPARA (0.60) PPARACTSSPPARGKLK7KLK5
SCHEMBL8432283 0.88 PPARA (0.60) PPARACTSSPPARGKLK7KLK5

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 PPARA 3679/4885CTSS 2818/4885PPARG 3363/4885
US-20230109076-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 PPARA 3679/4885CTSS 2818/4885PPARG 3363/4885
US-12065445-B2 CDK2 inhibitors and methods of using the same CDK2, CDK20, CDK1 PPARA 3800/4885CTSS 3268/4885PPARG 3474/4885

“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.