SCHEMBL4861409

SCHEMBL4861409

O=C(NCC1(C(=O)O)CCCCCC1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
EPHX1 P07099 1/20 0.45
TGM2 P21980 1/20 0.45
MGLL Q99685 1/20 0.45
FKBP1A P62942 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLAU P00749 1/20 0.44

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
SCHEMBL3647693 1.00 CTSL (0.53) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL4870701 0.99 LMNA (0.54) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL10152341 0.89 CTSL (0.51) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL4867430 0.86 LMNA (0.50) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL6247146 0.85 CTSL (0.51) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL6203374 0.85 CTSL (0.51) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL15073439 0.84 LMNA (0.46) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL6240346 0.84 ALDH1A1 (0.48) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL4870656 0.84 ALDH1A1 (0.48) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL10807610 0.83 DPP8 (0.48) CTSLCTSBCTSSALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 US disclosed
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 WO 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-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 CTSL 108/4885CTSB 389/4885CTSS 776/4885

“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.