SCHEMBL10260902

SCHEMBL10260902

CCOC(=O)[C@H](CCc1ccccc1)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
ACE P12821 8/20 0.47
LMNA P02545 2/20 0.47
ABCB11 O95342 2/20 0.47
MMP8 P22894 1/20 0.47
AGTR2 P50052 1/20 0.47
PDE3A Q14432 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 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
SCHEMBL10482405 0.87 SMN1; SMN2 (0.55) SMN1; SMN2ACELMNAABCB11MMP8
SCHEMBL14265369 0.87 SMN1; SMN2 (0.55) SMN1; SMN2ACELMNAABCB11MMP8
Hydrochloric Acid SCHEMBL11206033 0.85 SMN1; SMN2 (0.50) SMN1; SMN2ACELMNAABCB11MMP8
SCHEMBL8530712 0.85 ITGA4 (0.52) SMN1; SMN2TDP1MAPTTSHR
SCHEMBL13853980 0.83 SMN1; SMN2 (0.57) SMN1; SMN2ACELMNAABCB11MMP8
SCHEMBL14385198 0.83 MME (0.55) ACETSHR
SCHEMBL13016712 0.82 L3MBTL1 (0.52) SMN1; SMN2ACELMNAABCB11AGTR2
SCHEMBL10889835 0.81 MMP3 (0.49) SMN1; SMN2ACELMNAABCB11MMP8
SCHEMBL12304830 0.81 ACE (0.60) SMN1; SMN2ACELMNAABCB11PDE3A
SCHEMBL14374305 0.81 ACE (0.60) SMN1; SMN2ACELMNAABCB11PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 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-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME SMN1; SMN2 3985/4885ACE 92/4885LMNA 589/4885

“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.