SCHEMBL13087203

SCHEMBL13087203

CC(C)(C)OC(=O)Nc1cc(Cn2c(C(=O)NS(C)(=O)=O)c(N3CCCCNS3(=O)=O)c3cc(Cl)ccc32)ccn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.39
PIK3C3 Q8NEB9 3/20 0.37
P2RX3 P56373 3/20 0.35
MCL1 Q07820 1/20 0.35
IGF1R P08069 1/20 0.34
CDK9 P50750 1/20 0.33
PTGER1 P34995 2/20 0.33
CYP2C9 P11712 1/20 0.33
TBK1 Q9UHD2 2/20 0.32
MKNK2 Q9HBH9 1/20 0.32
ACKR3 P25106 1/20 0.31
PPARG P37231 1/20 0.30
RIPK3 Q9Y572 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
SCHEMBL13087065 0.98 PIK3C3 (0.39) CCR2PIK3C3P2RX3MCL1IGF1R
SCHEMBL13087186 0.91 PIK3C3 (0.40) CCR2PIK3C3P2RX3IGF1RCDK9
SCHEMBL13087049 0.89 MKNK2 (0.41) CCR2PIK3C3P2RX3IGF1RCDK9
SCHEMBL13087137 0.89 PIK3C3 (0.42) CCR2PIK3C3P2RX3IGF1RCDK9
SCHEMBL14706307 0.87 PIK3C3 (0.42) CCR2PIK3C3P2RX3IGF1RCDK9
SCHEMBL13087222 0.86 MCL1 (0.36) CCR2PIK3C3MCL1PPARG
SCHEMBL13087154 0.84 PIK3C3 (0.37) CCR2PIK3C3MCL1PPARG
SCHEMBL830571 0.74 CCR2 (0.40) CCR2PIK3C3P2RX3MCL1IGF1R
SCHEMBL831472 0.73 CCR2 (0.44) CCR2P2RX3MCL1IGF1RCDK9
SCHEMBL13087152 0.72 MEN1 (0.38) CCR2PIK3C3PPARG

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-20100260711-A1 3-AMINOSULFONYL SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-10-14 US disclosed
US-20100260711-A1 3-AMINOSULFONYL SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-10-14 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-20100260711-A1 3-AMINOSULFONYL SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, INMT, IDO2 CCR2 1374/4885PIK3C3 1300/4885P2RX3 3234/4885

“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.