SCHEMBL12138296

SCHEMBL12138296

CC(C)NS(=O)(=O)CNC(=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
DPP4 P27487 1/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL22917302 0.80 KMT2A (0.38) ALDH1A1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL15592839 0.76 FPR2 (0.40) ALDH1A1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL14069652 0.74 CA1 (0.39) ALDH1A1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL12138294 0.70
SCHEMBL1256515 0.70 MAPT (0.57) ALDH1A1
SCHEMBL8908322 0.70 NPSR1 (0.32) NPSR1
SCHEMBL293557 0.67
SCHEMBL11374100 0.67
SCHEMBL8919021 0.67 ALDH1A1 (0.35) ALDH1A1NPSR1CA12
SCHEMBL8908252 0.67 ALDH1A1 (0.40) ALDH1A1NPSR1CA12CA1CA2

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-8067457-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-8067415-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100016289-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2010-01-21 US disclosed
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2009-06-25 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-20100016289-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 ALDH1A1 1338/4885CYP2D6 2149/4885CYP2C9 2338/4885
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 ALDH1A1 1292/4885CYP2D6 1977/4885CYP2C9 2143/4885
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 ALDH1A1 1385/4885CYP2D6 1774/4885CYP2C9 1779/4885

“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.