SCHEMBL16476750

SCHEMBL16476750

CC(CC(=O)O)NC(=O)C(N)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 1/20 0.46
▸ DPP4 P27487 2/20 0.36
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 2/20 0.36
▸ FAP Q12884 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ BHMT Q93088 1/20 0.35
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ GABRR1 P24046 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SPHK1 Q9NYA1 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
SCHEMBL18776186 0.82 DPP4 (0.47) DPP4DPP8DPP9DPP7ITGB3
SCHEMBL29462562 0.81 CTSC (0.47) CTSC
SCHEMBL32690491 0.80 ENPEP (0.43) CTSC
SCHEMBL13811919 0.80 MMP1 (0.44) CTSCDPP4DPP8DPP9FAP
SCHEMBL30410875 0.80 ALDH1A1 (0.43) CTSCLMNAALDH1A1MAPTPTGS2
SCHEMBL30823949 0.79 ALDH1A1 (0.46) CTSCDPP4DPP8DPP9FAP
SCHEMBL30712180 0.79 GNPAT (0.49) CTSC
SCHEMBL29527798 0.79 CTSC (0.42) CTSC
SCHEMBL29602316 0.79 ENPEP (0.49) CTSC
SCHEMBL15042290 0.77 TDP1 (0.40) ITGB3ITGA2BSLC22A6LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107015-A1 PHARAMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HUMAN IMMUNODEFICIENCY VIRUS PUKYONG NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-04-17 — — 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 (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-20140107015-A1 PHARAMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HUMAN IMMUNODEFICIENCY VIRUS PEPD, CD4, DNPEP CTSC 65/4885DPP4 23/4885DPP8 21/4885

“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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