Sugi Predict

Sugi Predict / Compounds / SCHEMBL6233346

SCHEMBL6233346

SCHEMBL6233346

CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(I)ccc3N2)c(O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CYP2C9 P11712 3/20 0.47
▸ NR1I2 O75469 1/20 0.46
▸ CNR2 P34972 1/20 0.35
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RAD52 P43351 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL6233742 0.90 MAPK1 (0.62) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL6239808 0.89 CYP2C9 (0.50) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL6235524 0.86 MAPK1 (0.67) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6232411 0.84 MAPK1 (0.67) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6732912 0.83 MAPK1 (0.57) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL1523133 0.82 MAPK1 (0.49) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6733181 0.81 MAPK1 (0.55) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL6235203 0.81 CYP2C9 (0.59) MAPK1HSD17B10CYP2C9NR1I2MAPT
SCHEMBL6688938 0.81 CYP2C9 (0.44) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL6234425 0.80 MAPK1 (0.53) MAPK1HSD17B10CYP2C9NR1I2MAPT

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 9 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
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
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 — — EP disclosed
CN-1535151-A Novel anti-infectives ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-06 — — CN 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.