SCHEMBL5185368

SCHEMBL5185368

COC(=O)C(NCC(=O)OC(C)(C)C)c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PTPRC P08575 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CCR2 P41597 1/20 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
SCHEMBL5186572 0.80 KMT2A (0.55) SMN1; SMN2PTPRCMAPTCTSSCTSK
SCHEMBL15674786 0.76 MAPT (0.36) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL15674785 0.76 MAPT (0.36) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL4152673 0.75 TACR3 (0.40) PTPRCCTSSCTSKTSHRCCR2
SCHEMBL15674964 0.74 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9APTPRCHTT
SCHEMBL15675030 0.73 NPC1 (0.39) SMN1; SMN2NPC1RAB9APTPRCHTT
SCHEMBL5185377 0.73 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL17428951 0.72 KMT2A (0.42) HTTMAPTALDH1A1GAAATM
SCHEMBL17525671 0.71 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL5246965 0.71 CTSS (0.48) SMN1; SMN2PTPRCCTSSCTSKATM

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-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 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-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS SMN1; SMN2 4184/4885NPC1 2106/4885RAB9A 1806/4885

“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.