SCHEMBL3605950

SCHEMBL3605950

CCC(C)[C@H](NC(=O)OCC(C)C)C(=O)N1CCCC[C@H]1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
XIAP P98170 1/20 0.42
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DPP4 P27487 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2RL1 P55085 1/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
POLB P06746 1/20 0.36
FKBP5 Q13451 1/20 0.35
ELANE P08246 1/20 0.35
FAP Q12884 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3598519 0.92 SMN1; SMN2 (0.40) RAB9AXIAPKMT2AL3MBTL1DPP4
SCHEMBL3605952 0.85 POLB (0.46) XIAPKMT2APOLBELANE
SCHEMBL3604298 0.82 DPP4 (0.58) DPP4DPP8DPP9DPP7
SCHEMBL5696170 0.81 POLB (0.48) XIAPKMT2APOLBELANE
SCHEMBL27485070 0.81 POLB (0.48) XIAPKMT2APOLBELANE
SCHEMBL3604870 0.81 POLB (0.48) XIAPKMT2APOLBELANE
SCHEMBL5696171 0.81 POLB (0.48) XIAPKMT2APOLBELANE
SCHEMBL11341775 0.80 PREP (0.54) RAB9AKMT2AL3MBTL1TSHRALDH1A1
SCHEMBL11341773 0.80 PREP (0.54) RAB9AKMT2AL3MBTL1TSHRALDH1A1
SCHEMBL11878309 0.77 PREP (0.51) RAB9AKMT2AL3MBTL1TSHRALDH1A1

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-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 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 (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-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 RAB9A 1548/4885XIAP 594/4885KMT2A 3945/4885

“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.