SCHEMBL30048908

SCHEMBL30048908

CNC(=O)[C@H](CCCc1cccnc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.52
CYP3A4 P08684 9/20 0.51
CTSK P43235 3/20 0.50
CTSS P25774 1/20 0.50
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
CHRNA7 P36544 1/20 0.46
SCN9A Q15858 1/20 0.45
PTAFR P25105 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL29178468 1.00 MMP1 (0.52) MMP1MMP3MMP9CYP3A4CTSK
SCHEMBL24814138 1.00 MMP1 (0.52) MMP1MMP3MMP9CYP3A4CTSK
SCHEMBL31407382 0.90 CYP3A4 (0.54) CYP3A4CTSKCTSSCHRNA7PTAFR
SCHEMBL29178360 0.87 MMP3 (0.52) MMP1MMP3MMP9CTSKCTSS
SCHEMBL24812414 0.87 MMP3 (0.52) MMP1MMP3MMP9CTSKCTSS
SCHEMBL29178423 0.87 MMP3 (0.64) MMP1MMP3MMP9CTSKCTSS
SCHEMBL24814567 0.87 MMP3 (0.64) MMP1MMP3MMP9CTSKCTSS
SCHEMBL10399053 0.86 CYP3A4 (0.56) CYP3A4CHRNA7PTAFR
SCHEMBL7894417 0.86 SCN9A (0.56) CYP3A4CTSKCTSSSCN9A
SCHEMBL10397902 0.85 PTAFR (0.54) CYP3A4PTAFR

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-12053459-B2 CDK2 inhibitors and methods of using the same CEDILLA THERAPEUTICS, INC. (MA) 2024-08-06 US disclosed
EP-4358954-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2024-05-01 EP disclosed
CN-117561058-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2024-02-13 CN disclosed
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
WO-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 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-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 MMP1 3506/4885MMP3 2484/4885MMP9 2168/4885
US-12053459-B2 CDK2 inhibitors and methods of using the same CDK2, CDK20, CDK2AP2 MMP1 3506/4885MMP3 2484/4885MMP9 2168/4885

“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.