SCHEMBL463987

SCHEMBL463987

CCCC(N)C(=O)C(=O)NC1CCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 3/20 0.42
MAPT P10636 1/20 0.42
EPHX1 P07099 5/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
METAP1 P53582 1/20 0.40
DPP4 P27487 1/20 0.39
MAPK1 P28482 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 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
SCHEMBL15219637 0.95 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL28814747 0.95 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL840614 0.93 METAP1 (0.45) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL13274393 0.93 METAP1 (0.45) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL463976 0.93 METAP1 (0.45) SMN1; SMN2RAB9AGAANPC1MAPT
Hydrochloric Acid SCHEMBL27922161 0.92 METAP1 (0.44) SMN1; SMN2RAB9AGAANPC1MAPT
Hydrochloric Acid SCHEMBL27922164 0.92 METAP1 (0.44) SMN1; SMN2RAB9AGAANPC1MAPT
Formic Acid SCHEMBL27923729 0.87 METAP1 (0.41) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL904231 0.83 METAP1 (0.58) SMN1; SMN2RAB9AGAAMAPTEPHX1
SCHEMBL15623642 0.83 METAP1 (0.58) SMN1; SMN2RAB9AGAAMAPTEPHX1

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-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 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-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD SMN1; SMN2 4224/4885RAB9A 1782/4885GAA 331/4885

“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.