SCHEMBL3186901

SCHEMBL3186901

CC(C)C(NCCN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAOB P27338 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CASP3 P42574 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43

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
SCHEMBL3186877 1.00 KMT2A (0.48) KMT2ACA12CA9ALDH1A1POLB
SCHEMBL2909670 0.89 CYP3A4 (0.51) KMT2ACA12CA9POLBSMN1; SMN2
SCHEMBL8489619 0.85 CA12 (0.47) KMT2ACA12CA9POLBSMN1; SMN2
SCHEMBL1058567 0.82 MMP9 (0.40) KMT2APOLBHDAC1HDAC7
SCHEMBL3183424 0.82 SMN1; SMN2 (0.41) KMT2AALDH1A1SMN1; SMN2
SCHEMBL3749007 0.82 SMN1; SMN2 (0.46) KMT2ACA12CA9POLBSMN1; SMN2
SCHEMBL4750336 0.80 GLS (0.50) ALDH1A1MAOBCASP3
SCHEMBL30793979 0.80 GLS (0.50) ALDH1A1MAOBSMN1; SMN2CASP3HDAC1
SCHEMBL1171415 0.77 KMT2A (0.69) KMT2ACA12CA9ALDH1A1
SCHEMBL1171410 0.77 KMT2A (0.69) KMT2ACA12CA9ALDH1A1

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-7652143-B2 Cyclic ureas used as inhibitors of metalloproteases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-01-26 US disclosed
US-20080096918-A1 NOVEL CYCLIC UREAS USED AS INHIBITORS OF METALLOPROTEASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-24 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-20080096918-A1 NOVEL CYCLIC UREAS USED AS INHIBITORS OF METALLOPROTEASES ADAMTS1, ADAMTS13, ADAMTS5 KMT2A 3952/4885CA12 426/4885CA9 552/4885

“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.