Sugi Predict

Sugi Predict / Compounds / SCHEMBL6232841

SCHEMBL6232841

SCHEMBL6232841

CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(-c4ccccc4)ccc3N2)c(O)c2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ CYP2C9 P11712 3/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.44
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ RCE1 Q9Y256 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ XBP1 P17861 1/20 0.37

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
SCHEMBL6236195 0.90 MAPK1 (0.68) HSD17B10MAPK1CYP2C9NR1I2KDM4E
SCHEMBL6232111 0.90 MAPK1 (0.67) HSD17B10MAPK1CYP2C9NR1I2KDM4E
SCHEMBL6235524 0.90 MAPK1 (0.67) HSD17B10MAPK1CYP2C9NR1I2KDM4E
SCHEMBL6236122 0.90 MAPK1 (0.67) HSD17B10MAPK1CYP2C9NR1I2KDM4E
SCHEMBL6232673 0.89 HSD17B10 (0.64) HSD17B10MAPK1CYP2C9NR1I2KDM4E
SCHEMBL6741396 0.89 MAPK1 (0.66) HSD17B10MAPK1CYP2C9NR1I2KDM4E
SCHEMBL6232243 0.89 MAPK1 (0.66) HSD17B10MAPK1CYP2C9NR1I2KDM4E
SCHEMBL6236792 0.89 MAPK1 (0.66) HSD17B10MAPK1CYP2C9NR1I2KDM4E
SCHEMBL6235167 0.89 MAPK1 (0.66) HSD17B10MAPK1CYP2C9NR1I2KDM4E
SCHEMBL12403127 0.88 MAPK1 (0.82) HSD17B10MAPK1CYP2C9NR1I2KDM4E

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 HSD17B10 1428/4885MAPK1 3699/4885CYP2C9 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.