SCHEMBL13259712

SCHEMBL13259712

CCC(NC(=O)C1CC(O)CN1C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)N1CCCC1B(O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 10/20 0.39
▸ PREP P48147 3/20 0.39
▸ DPP4 P27487 10/20 0.38
▸ DPP8 Q6V1X1 8/20 0.38
▸ DPP9 Q86TI2 8/20 0.38
▸ DPP7 Q9UHL4 7/20 0.38
▸ ELANE P08246 1/20 0.35
▸ PITRM1 Q5JRX3 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ VHL P40337 1/20 0.34
▸ ITGB3 P05106 4/20 0.34
▸ ITGA2B P08514 4/20 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
SCHEMBL13285547 0.88 FAP (0.40) FAPPREPDPP4DPP8DPP9
SCHEMBL13382231 0.84 DPP4 (0.58) FAPPREPDPP4DPP8DPP9
SCHEMBL13259711 0.77 PREP (0.43) PREPF2
SCHEMBL13259709 0.77 ATM (0.45) ELANEITGB3ITGA2B
SCHEMBL8063520 0.77 ATM (0.45) ELANEITGB3ITGA2B
SCHEMBL13259710 0.76 ALDH1A1 (0.54) ELANE
SCHEMBL34471493 0.74 CYP1A2 (0.39) ELANEVHL
SCHEMBL8236627 0.73 F2 (0.44) ELANEF2PRSS1
SCHEMBL12605461 0.73 F2 (0.44) F2PRSS1ITGB3ITGA2B
SCHEMBL16329136 0.73 F2 (0.44) F2PRSS1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226155-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-08-10 — — US disclosed
US-20170226155-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-08-10 — — US disclosed
US-9629921-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-04-25 — — US disclosed
US-9629921-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-04-25 — — US disclosed
US-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors BACH BIOSCIENCES, LLC 2013-11-14 — — US disclosed
US-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors BACH BIOSCIENCES, LLC 2013-11-14 — — US disclosed
EP-2204181-A2 Protease inhibitors Trustees of Tufts College (US) 2010-07-07 — — EP disclosed
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-07-01 — — 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-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC FAP 1/4885PREP 2/4885DPP4 8/4885
US-20170226155-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC FAP 1/4885PREP 2/4885DPP4 8/4885
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC FAP 1/4885PREP 2/4885DPP4 8/4885

“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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