SCHEMBL21728970

SCHEMBL21728970

CC(C)(C)N[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 2/20 0.32
▸ ADAMTS4 O75173 1/20 0.30
▸ ADAMTS5 Q9UNA0 1/20 0.30
▸ CCKBR P32239 1/20 0.30

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
SCHEMBL21728997 0.97 FOLH1 (0.31) BMP1
SCHEMBL21738718 0.84 GPBAR1 (0.31) —
SCHEMBL27104562 0.83 KDM4E (0.37) —
SCHEMBL20224390 0.83 KDM4E (0.37) —
SCHEMBL27104564 0.81 KDM4E (0.37) —
SCHEMBL25767688 0.80 FOLH1 (0.41) BMP1ADAMTS4ADAMTS5CCKBR
SCHEMBL12010939 0.80 MMP2 (0.39) BMP1ADAMTS4ADAMTS5CCKBR
SCHEMBL18897776 0.78 BMP1 (0.36) BMP1
SCHEMBL26353660 0.77 GPBAR1 (0.35) BMP1
SCHEMBL23802494 0.77 DPP4 (0.39) BMP1

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-20210308267-A1 REJUVENATION OF CAR T CELL PURDUE RESEARCH FOUNDATION 2021-10-07 — — US disclosed
US-20200054676-A1 Targeted Ligand-Payload Based Drug Delivery for Cell Therapy PURDUE RESEARCH FOUNDATION 2020-02-20 — — 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-20210308267-A1 REJUVENATION OF CAR T CELL HAVCR2, ICOS, CD47 BMP1 2256/4885ADAMTS4 2444/4885ADAMTS5 2797/4885
US-20200054676-A1 Targeted Ligand-Payload Based Drug Delivery for Cell Therapy HAVCR2, BST2, CD74 BMP1 558/4885ADAMTS4 3150/4885ADAMTS5 3211/4885

“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.

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