SCHEMBL12468208

SCHEMBL12468208

C=C(NC(=O)c1cc(Cl)c2ccccc2c1OCc1ccc(C(F)(F)F)cn1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 4/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
MRGPRX4 Q96LA9 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
SORT1 Q99523 1/20 0.37
GLA P06280 2/20 0.37
TDP1 Q9NUW8 3/20 0.36
P2RX7 Q99572 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12468342 0.86 DRD3 (0.34) KDM4EMAPTPOLBGAAALDH1A1
SCHEMBL485344 0.84 KDM4E (0.52) RPS6KA3KDM4EMAPTPOLBGAA
SCHEMBL485491 0.81 CXCR2 (0.44) RPS6KA3KDM4EMAPTPOLBGAA
SCHEMBL485826 0.81 MRGPRX4 (0.51) MAPTPOLBGAALMNAMRGPRX4
SCHEMBL484930 0.81 CXCR2 (0.46) RPS6KA3KDM4EMAPTPOLBGAA
SCHEMBL12467343 0.78 CXCR2 (0.39) RPS6KA3KDM4EMAPTPOLBGAA
SCHEMBL485706 0.73 CXCR2 (0.44) RPS6KA3KDM4EPOLBGAALMNA
SCHEMBL12728861 0.73 MRGPRX4 (0.43) KDM4EPOLBGAALMNAMRGPRX4
SCHEMBL485907 0.71 CXCR2 (0.45) RPS6KA3POLBGAALMNAMRGPRX4
SCHEMBL485133 0.71 CXCR2 (0.45) RPS6KA3POLBGAALMNAMRGPRX4

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-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 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-20110184177-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 RPS6KA3 3107/4885KDM4E 3892/4885MAPT 4665/4885

“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.