SCHEMBL17348400

SCHEMBL17348400

CCCCOC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 11/20 0.45
▸ ACE P12821 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.42
▸ HRH2 P25021 2/20 0.42
▸ HRH1 P35367 2/20 0.42
▸ CMA1 P23946 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ ELANE P08246 1/20 0.41

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
SCHEMBL9608922 0.89 FKBP1A (0.44) FKBP1AACEACE2KLK5CTSL
SCHEMBL15373369 0.89 POLB (0.44) FKBP1AACEACE2KLK5CMA1
SCHEMBL21166676 0.89 CTSL (0.51) FKBP1AACEKLK5CMA1CTSL
SCHEMBL30406562 0.85 KLK5 (0.46) ACEKLK5CMA1CTSLELANE
SCHEMBL28853236 0.84 KLK5 (0.53) FKBP1AACEKLK5CMA1CTSL
SCHEMBL17348390 0.84 KLK5 (0.53) FKBP1AACEKLK5CMA1CTSL
SCHEMBL28719311 0.84 KLK5 (0.53) FKBP1AACEKLK5CMA1CTSL
SCHEMBL7311829 0.84 KLK5 (0.53) FKBP1AACEKLK5CMA1CTSL
SCHEMBL14235323 0.84 KLK5 (0.53) FKBP1AACEKLK5CMA1CTSL
SCHEMBL12969779 0.83 KCNH2 (0.51) FKBP1AACEACE2KLK5CMA1

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-20170119901-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES, LLC 2017-05-04 — — US disclosed
WO-2015192123-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2015-12-17 — — 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 (1 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-20170119901-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, FAH FKBP1A 589/4885ACE 197/4885ACE2 465/4885

“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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