SCHEMBL6233742

SCHEMBL6233742

CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
CYP2C9 P11712 3/20 0.57
NR1I2 O75469 1/20 0.57
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
CNR2 P34972 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
RAD52 P43351 1/20 0.35
F2R P25116 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
CHEK1 O14757 1/20 0.34
WEE1 P30291 1/20 0.34
FASN P49327 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
SCHEMBL6233346 0.90 MAPK1 (0.49) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6235203 0.89 CYP2C9 (0.59) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6234425 0.88 MAPK1 (0.53) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6235652 0.88 MAPK1 (0.68) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6239808 0.88 CYP2C9 (0.50) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6232411 0.87 MAPK1 (0.67) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6739082 0.87 MAPK1 (0.67) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6233871 0.86 MAPK1 (0.66) MAPK1HSD17B10CYP2C9NR1I2LMNA
SCHEMBL6231207 0.86 MAPK1 (0.66) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6738143 0.86 CYP2C9 (0.74) MAPK1HSD17B10CYP2C9NR1I2CHEK1

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
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP claimed
CN-1535151-A Novel anti-infectives ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-06 CN claimed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP claimed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO claimed

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.