SCHEMBL6930445

SCHEMBL6930445

O=C(O)CC/C(=N\O)c1ccc(NC(=O)C2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 2/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
RAB9A P51151 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
ENPP2 Q13822 1/20 0.46
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46
CCR5 P51681 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
ALDH1A1 P00352 1/20 0.45
STS P08842 1/20 0.45

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
SCHEMBL6930447 1.00 PTPN1 (0.55) PTPN1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL6931774 0.84 PTPN1 (0.60) PTPN1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL6929474 0.78 CYP1A1 (0.60) SMN1; SMN2LMNAMAPTKMT2AALDH1A1
SCHEMBL6929467 0.78 CYP1A1 (0.60) SMN1; SMN2LMNAMAPTKMT2AALDH1A1
SCHEMBL694058 0.77 PTPN1 (0.72) PTPN1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL11732553 0.77 PTPN1 (0.72) PTPN1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL28656982 0.77 PTPN1 (0.89) PTPN1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL125695 0.77 PTPN1 (0.89) PTPN1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL6931847 0.76 CYP1A1 (0.50) SMN1; SMN2LMNAMAPTKMT2AALDH1A1
SCHEMBL10931614 0.76 KMT2A (0.59) PTPN1HPGDSMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US claimed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US claimed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 US claimed
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US disclosed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US disclosed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 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-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP1, MMP8, MMP13 PTPN1 4500/4885HPGD 1029/4885SMN1; SMN2 208/4885

“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.