SCHEMBL9104625

SCHEMBL9104625

CC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
HDAC8 Q9BY41 3/20 0.44
CYP17A1 P05093 3/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL2283371 0.88 PPARG (0.51) HDAC8HDAC1HDAC6NPC1RAB9A
SCHEMBL10318265 0.87 ALDH1A1 (0.50) LMNANPSR1ALDH1A1POLBMAPT
SCHEMBL11982645 0.85 HDAC1 (0.46) HDAC8HDAC1HDAC6
SCHEMBL20865561 0.84 ALDH1A1 (0.56) CA12CA1CA9CYP17A1NPC1
SCHEMBL13495792 0.84 LCK (0.40) CA12CA1CA9HDAC8CYP17A1
SCHEMBL4568018 0.84 NLRP3 (0.55) HDAC8HDAC1HDAC6RAB9ASMN1; SMN2
SCHEMBL24661913 0.84 CYP17A1 (0.51) CA12CA1CA9HDAC8CYP17A1
SCHEMBL16385178 0.84 ALDH1A1 (0.52) HDAC8CYP17A1HDAC1HDAC6NPC1
SCHEMBL28294971 0.83 RAB9A (0.50) CA12CA1CA9NPC1RAB9A
SCHEMBL14738934 0.82 GAA (0.43) CA12CA1CA9HDAC8CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563558-B2 Substituted pyridine urea compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2013-10-22 US disclosed
WO-2012078673-A1 SUBSTITUTED PYRIDINE UREA COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO disclosed
US-20120142708-A1 SUBSTITUTED PYRIDINE UREA COMPOUNDS ACLARIS THERAPEUTICS, INC. 2012-06-07 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-20120142708-A1 SUBSTITUTED PYRIDINE UREA COMPOUNDS MAPK1, MAP3K1, MAP3K8 CA12 4825/4885CA1 4782/4885CA9 4734/4885

“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.