SCHEMBL21554493

SCHEMBL21554493

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VHL P40337 15/20 0.43
ELOC Q15369 4/20 0.41
ELOB Q15370 4/20 0.41
TGM2 P21980 1/20 0.34
DPP4 P27487 3/20 0.33
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 3/20 0.33
EGFR P00533 1/20 0.32
WDR5 P61964 1/20 0.32
STAT3 P40763 1/20 0.32

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
SCHEMBL21554512 1.00 VHL (0.43) VHLELOCELOBTGM2DPP4
SCHEMBL21554492 1.00 VHL (0.43) VHLELOCELOBTGM2DPP4
SCHEMBL21554494 1.00 VHL (0.43) VHLELOCELOBTGM2DPP4
SCHEMBL22138839 0.90 VHL (0.41) VHLELOCELOBTGM2DPP4
SCHEMBL23183583 0.85 VHL (0.41) VHLELOCELOBDPP4DPP8
SCHEMBL21554539 0.85 VHL (0.41) VHLELOCELOBDPP4DPP8
SCHEMBL20419046 0.85 VHL (0.41) VHLELOCELOBDPP4DPP8
SCHEMBL21554505 0.85 VHL (0.41) VHLELOCELOBDPP4DPP8
SCHEMBL24558588 0.83 DPP4 (0.36) VHLELOCELOBDPP4DPP8
SCHEMBL24239716 0.82 DPP4 (0.35) VHLELOCELOBDPP4DPP8

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 3 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-20210315999-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2021-10-14 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 (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-20190336503-A1 COMPOSITIONS AND METHODS FOR TREATING CDK4/6-MEDIATED CANCER CDK4, CDK6, CDK2 VHL 216/4885ELOC 390/4885ELOB 285/4885
US-20210315999-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE MUSK, ERBB2, NTRK1 VHL 266/4885ELOC 2705/4885ELOB 2627/4885
US-11541051-B2 Compositions and methods for treating CDK4/6-mediated cancer CDK4, CDK6, CDK2 VHL 216/4885ELOC 390/4885ELOB 285/4885

“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.