Sugi Predict

Sugi Predict / Compounds / SCHEMBL6236659

SCHEMBL6236659

SCHEMBL6236659

COc1ccc(COc2ccc3c(c2)c(O)c(C2=NS(=O)(=O)c4ccccc4N2)c(=O)n3CCC(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ CYP2C9 P11712 3/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ LMNA P02545 1/20 0.40
▸ EDNRB P24530 1/20 0.37
▸ EDNRA P25101 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ MYLK Q15746 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ WEE1 P30291 1/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33

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
SCHEMBL6739737 0.95 MAPK1 (0.59) MAPK1HSD17B10CYP2C9NR1I2MEN1
SCHEMBL6236709 0.86 MAPK1 (0.57) MAPK1HSD17B10CYP2C9NR1I2LMNA
SCHEMBL6235652 0.86 MAPK1 (0.68) MAPK1HSD17B10CYP2C9NR1I2LMNA
SCHEMBL6235598 0.84 MAPK1 (0.56) MAPK1HSD17B10CYP2C9NR1I2LMNA
SCHEMBL6239211 0.84 MAPK1 (0.54) MAPK1HSD17B10CYP2C9NR1I2LMNA
SCHEMBL6233826 0.84 CYP2C9 (0.56) MAPK1HSD17B10CYP2C9NR1I2PDE5A
SCHEMBL6737830 0.83 MAPK1 (0.61) MAPK1HSD17B10CYP2C9NR1I2LMNA
SCHEMBL6232411 0.83 MAPK1 (0.67) MAPK1HSD17B10CYP2C9NR1I2LMNA
SCHEMBL6739082 0.83 MAPK1 (0.67) MAPK1HSD17B10CYP2C9NR1I2MEN1
SCHEMBL6232817 0.83 MAPK1 (0.64) MAPK1HSD17B10CYP2C9NR1I2LMNA

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 8 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
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.