SCHEMBL21554539

SCHEMBL21554539

C[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCC(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VHL P40337 13/20 0.41
DPP4 P27487 5/20 0.38
DPP8 Q6V1X1 5/20 0.38
DPP9 Q86TI2 5/20 0.38
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
PLA2G10 O15496 1/20 0.35
ELOC Q15369 2/20 0.34
ELOB Q15370 2/20 0.34

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
SCHEMBL20419046 1.00 VHL (0.41) VHLDPP4DPP8DPP9HDAC3
SCHEMBL23183583 1.00 VHL (0.41) VHLDPP4DPP8DPP9HDAC3
SCHEMBL21554505 1.00 VHL (0.41) VHLDPP4DPP8DPP9HDAC3
SCHEMBL24474127 0.89 VHL (0.40) VHLHDAC3HDAC1HDAC2KDM1A
SCHEMBL21759977 0.88 VHL (0.38) VHLDPP4DPP8DPP9HDAC3
SCHEMBL24558588 0.85 DPP4 (0.36) VHLDPP4DPP8DPP9HDAC3
SCHEMBL21554512 0.85 VHL (0.43) VHLDPP4DPP8DPP9ELOC
SCHEMBL21554492 0.85 VHL (0.43) VHLDPP4DPP8DPP9ELOC
SCHEMBL21554493 0.85 VHL (0.43) VHLDPP4DPP8DPP9ELOC
SCHEMBL21554494 0.85 VHL (0.43) VHLDPP4DPP8DPP9ELOC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541051-B2 Compositions and methods for treating CDK4/6-mediated cancer ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-01-03 US disclosed
US-20190336503-A1 COMPOSITIONS AND METHODS FOR TREATING CDK4/6-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2019-11-07 US 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-20190336503-A1 COMPOSITIONS AND METHODS FOR TREATING CDK4/6-MEDIATED CANCER CDK4, CDK6, CDK2 VHL 216/4885DPP4 2207/4885DPP8 1856/4885
US-11541051-B2 Compositions and methods for treating CDK4/6-mediated cancer CDK4, CDK6, CDK2 VHL 216/4885DPP4 2207/4885DPP8 1856/4885

“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.