SCHEMBL6239964

SCHEMBL6239964

CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(NC(=O)CBr)ccc21

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP2C9 P11712 3/20 0.56
NR1I2 O75469 1/20 0.56
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
NPY5R Q15761 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL6230351 0.93 MAPK1 (0.59) MAPK1HSD17B10CYP2C9NR1I2TP53
SCHEMBL6234807 0.91 MAPK1 (0.61) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6738155 0.91 MAPK1 (0.57) MAPK1HSD17B10CYP2C9NR1I2TP53
SCHEMBL6231895 0.89 MAPK1 (0.58) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6232944 0.87 MAPK1 (0.59) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6267540 0.87 CYP2C9 (0.61) MAPK1HSD17B10CYP2C9NR1I2TP53
SCHEMBL27585571 0.85 MAPK1 (0.66) MAPK1HSD17B10CYP2C9NR1I2LMNA
SCHEMBL6239211 0.85 MAPK1 (0.54) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6239797 0.85 CYP2C9 (0.59) MAPK1HSD17B10CYP2C9NR1I2TP53
SCHEMBL6241366 0.85 MAPK1 (0.54) MAPK1HSD17B10CYP2C9NR1I2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 MAPK1 3699/4885HSD17B10 1428/4885CYP2C9 1218/4885

“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.