SCHEMBL13259713

SCHEMBL13259713

CCC(NC(=O)C(C)NC(=O)C(N)C1CCCCC1)C(=O)NC(C)B(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.40
▸ DPP8 Q6V1X1 4/20 0.39
▸ DPP9 Q86TI2 4/20 0.39
▸ FAP Q12884 2/20 0.38
▸ DPP7 Q9UHL4 2/20 0.38
▸ EPHX1 P07099 1/20 0.35
▸ METAP2 P50579 2/20 0.34
▸ GLS O94925 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ PSMB5 P28074 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ CASP8 Q14790 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
SCHEMBL15028132 0.90 DPP4 (0.38) DPP4DPP8DPP9FAPDPP7
SCHEMBL17814216 0.84 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
SCHEMBL15386492 0.81 DPP4 (0.41) DPP4DPP8DPP9FAPDPP7
SCHEMBL13285826 0.81 DPP4 (0.41) DPP4DPP8DPP9FAPDPP7
SCHEMBL13285559 0.77 DPP4 (0.59) DPP4DPP8DPP9FAPDPP7
SCHEMBL13259718 0.77 DPP4 (0.59) DPP4DPP8DPP9FAPDPP7
SCHEMBL15386522 0.77 DPP4 (0.59) DPP4DPP8DPP9FAPDPP7
SCHEMBL15712089 0.77 METAP2 (0.33) DPP4EPHX1METAP2GLS
SCHEMBL15386493 0.76 DPP4 (0.46) DPP4DPP8DPP9FAPDPP7
SCHEMBL15028136 0.76 DPP4 (0.39) DPP4DPP8DPP9FAPDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-07-01 — — US disclosed
US-7691967-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-04-06 — — US disclosed
US-7691967-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-04-06 — — 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-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC DPP4 8/4885DPP8 21/4885DPP9 25/4885
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC DPP4 8/4885DPP8 21/4885DPP9 25/4885

“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.

Send feedback