SCHEMBL6530877

SCHEMBL6530877

COc1ccc(CCNC(=O)CC(=O)O)cc1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.69
PTPN1 P18031 1/20 0.68
POLB P06746 1/20 0.63
TAAR1 Q96RJ0 2/20 0.62
ALDH1A1 P00352 1/20 0.62
KMT2A Q03164 2/20 0.61
GLA P06280 1/20 0.61
MAPT P10636 1/20 0.61
FPR2 P25090 1/20 0.61
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.60
GAA P10253 1/20 0.60
RAB9A P51151 1/20 0.60
PLAAT3 P53816 1/20 0.59
PLAAT5 Q96KN8 1/20 0.59
PLAAT2 Q9NWW9 1/20 0.59
PLAAT4 Q9UL19 1/20 0.59

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
SCHEMBL12773610 0.92 SMN1; SMN2 (0.75) SMN1; SMN2PTPN1POLBTAAR1ALDH1A1
SCHEMBL6531735 0.87 SMN1; SMN2 (0.69) SMN1; SMN2PTPN1POLBALDH1A1KMT2A
SCHEMBL5302419 0.85 SMN1; SMN2 (0.71) SMN1; SMN2PTPN1POLBTAAR1ALDH1A1
SCHEMBL9853024 0.85 SMN1; SMN2 (0.71) SMN1; SMN2PTPN1POLBALDH1A1KMT2A
SCHEMBL11441525 0.85 SMN1; SMN2 (0.71) SMN1; SMN2PTPN1POLBTAAR1ALDH1A1
SCHEMBL7357508 0.85 POLB (0.69) SMN1; SMN2PTPN1POLBALDH1A1KMT2A
SCHEMBL4583404 0.85 SMN1; SMN2 (0.75) SMN1; SMN2PTPN1TAAR1ALDH1A1KMT2A
SCHEMBL3656068 0.84 SMN1; SMN2 (0.65) SMN1; SMN2PTPN1POLBTAAR1ALDH1A1
SCHEMBL23417615 0.84 POLB (0.77) SMN1; SMN2POLBALDH1A1KMT2AMAPT
SCHEMBL5805271 0.84 SMN1; SMN2 (0.69) SMN1; SMN2PTPN1POLBALDH1A1KMT2A

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-20050059605-A1 Chemically modified metabolites of regulatory peptides and methods of producing and using same THERATECHNOLOGIES INC. (CA) 2005-03-17 US disclosed
WO-2004067548-A2 CHEMICALLY MODIFIED METABOLITES OF REGULATORY PEPTIDES AND METHODS OF PRODUCING AND USING SAME THERATECHNOLOGIES INC. (CA) 2004-08-12 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-20050059605-A1 Chemically modified metabolites of regulatory peptides and methods of producing and using same PTMS, DPP7, GIPR SMN1; SMN2 4203/4885PTPN1 568/4885POLB 4608/4885

“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.