SCHEMBL21156692

SCHEMBL21156692

CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 12/20 0.51
▸ PSMB5 P28074 5/20 0.42
▸ FAP Q12884 1/20 0.38
▸ F2 P00734 2/20 0.36

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
SCHEMBL26853210 1.00 PREP (0.51) PREPPSMB5FAPF2
SCHEMBL21156212 0.93 PREP (0.48) PREPPSMB5FAPF2
SCHEMBL26853284 0.93 PREP (0.48) PREPPSMB5FAPF2
SCHEMBL8234287 0.88 PREP (0.56) PREPPSMB5FAPF2
SCHEMBL16079844 0.86 PREP (0.55) PREPPSMB5FAPF2
SCHEMBL24025130 0.85 PREP (0.54) PREPPSMB5FAPF2
SCHEMBL21156219 0.85 PREP (0.54) PREPPSMB5FAPF2
SCHEMBL14161094 0.85 PREP (0.54) PREPPSMB5FAP
SCHEMBL14161093 0.85 PREP (0.54) PREPPSMB5FAP
SCHEMBL12658549 0.85 PREP (0.53) PREPPSMB5FAPF2

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-11583516-B2 Dash inhibitors, and uses related thereto TRUSTEES OF TUFTS COLLEGE (US) 2023-02-21 — — US disclosed
US-20210353652-A1 TUMOR MICROENVIRONMENT-ACTIVATED DRUG-BINDER CONJUGATES, AND USES RELATED THERETO AVACTA LIFE SCIENCES, LIMITED (GB) 2021-11-18 — — US disclosed
US-20190209525-A1 DASH INHIBITORS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2019-07-11 — — 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-20210353652-A1 TUMOR MICROENVIRONMENT-ACTIVATED DRUG-BINDER CONJUGATES, AND USES RELATED THERETO CD47, VCAM1, CD44 PREP 2346/4885PSMB5 3631/4885FAP 193/4885
US-11583516-B2 Dash inhibitors, and uses related thereto PCNA, CD2BP2, CCNO PREP 1101/4885PSMB5 3540/4885FAP 794/4885
US-20190209525-A1 DASH INHIBITORS, AND USES RELATED THERETO CD2BP2, PCNA, CD2 PREP 996/4885PSMB5 3583/4885FAP 776/4885

“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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