SCHEMBL18776186

SCHEMBL18776186

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.47
▸ DPP8 Q6V1X1 2/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ CTRB1 P17538 5/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.37
▸ GABRP O00591 2/20 0.37
▸ GABRD O14764 2/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ GABRB1 P18505 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37

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
SCHEMBL15042290 0.82 TDP1 (0.40) ITGB3ITGA2BALDH1A1LMNAMAPT
SCHEMBL16476750 0.82 CTSC (0.46) DPP4DPP8DPP7ITGB3ITGA2B
SCHEMBL8650914 0.79 MME (0.49) —
SCHEMBL30355295 0.79 MME (0.49) —
SCHEMBL8648570 0.79 MME (0.49) —
SCHEMBL29378709 0.79 MME (0.49) —
SCHEMBL7825934 0.79 MME (0.49) —
SCHEMBL10162444 0.79 DPP4 (0.63) DPP4DPP8LMNAMAPTDPP9
SCHEMBL23380925 0.78 GNPAT (0.43) DPP4DPP8DPP7CTRB1
SCHEMBL5881138 0.78 NOD1 (0.48) DPP4DPP8DPP7CTRB1

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-20170304383-A1 SMALL MOLECULE RAS INHIBITORS OHIO STATE INNOVATION FOUNDATION 2017-10-26 — — US disclosed
US-20170112896-A1 SMALL MOLECULE RAC OR RHO INHIBITORS NIH - DEITR 2017-04-27 — — 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-20170112896-A1 SMALL MOLECULE RAC OR RHO INHIBITORS ARHGDIB, ARHGDIA, RHOT2 DPP4 4768/4885DPP8 4221/4885DPP7 4130/4885
US-20170304383-A1 SMALL MOLECULE RAS INHIBITORS KRAS, NRAS, HRAS DPP4 3447/4885DPP8 2667/4885DPP7 2775/4885

“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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