SCHEMBL8414552

SCHEMBL8414552

CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N(C)c1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
TACR1 P25103 2/20 0.46
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.35
BCAT2 O15382 1/20 0.35
USP2 O75604 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
ADAM17 P78536 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
NR4A2 P43354 1/20 0.34
GPBAR1 Q8TDU6 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
SCHEMBL7450697 0.82 TACR1 (0.49) KMT2ASMN1; SMN2MEN1TACR1ALDH1A1
SCHEMBL5883327 0.78 TACR1 (0.54) KMT2ASMN1; SMN2MEN1TACR1ALDH1A1
SCHEMBL8684739 0.77 TACR1 (0.51) KMT2ASMN1; SMN2MEN1TACR1ALDH1A1
Hydrochloric Acid SCHEMBL5883686 0.76 TACR1 (0.52) KMT2ASMN1; SMN2MEN1TACR1ALDH1A1
SCHEMBL31393815 0.75 TACR1 (0.51) KMT2ASMN1; SMN2MEN1TACR1ALDH1A1
SCHEMBL8414629 0.75 KCNQ2 (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8216640 0.74 NPSR1 (0.43) KMT2ASMN1; SMN2MEN1ALDH1A1KDM4E
SCHEMBL8567260 0.74 TACR1 (0.43) KMT2ASMN1; SMN2MEN1TACR1ALDH1A1
SCHEMBL8720338 0.72 TACR1 (0.57) KMT2ASMN1; SMN2MEN1TACR1ALDH1A1
SCHEMBL7451450 0.72 TACR1 (0.63) KMT2ASMN1; SMN2MEN1TACR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 KMT2A 3890/4885SMN1; SMN2 2291/4885MEN1 1218/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF KMT2A 3845/4885SMN1; SMN2 1570/4885MEN1 1618/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI KMT2A 3859/4885SMN1; SMN2 2646/4885MEN1 1587/4885

“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.