Sugi Predict

Sugi Predict / Compounds / SCHEMBL6235865

SCHEMBL6235865

SCHEMBL6235865

CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(C(N)=O)ccc3N2)c(O)c2cc(N)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ NR1I2 O75469 1/20 0.46
▸ NPC1 O15118 6/20 0.35
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ XBP1 P17861 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ CHEK1 O14757 1/20 0.31
▸ WEE1 P30291 1/20 0.31
▸ HTR3E A5X5Y0 1/20 0.30

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
SCHEMBL6733181 0.93 MAPK1 (0.55) CYP2C9MAPK1HSD17B10NR1I2NPC1
SCHEMBL6736455 0.91 MAPK1 (0.64) CYP2C9MAPK1HSD17B10NR1I2NPC1
Bromide SCHEMBL6686682 0.89 MAPK1 (0.52) CYP2C9MAPK1HSD17B10NR1I2POLB
SCHEMBL27585690 0.89 MAPK1 (0.65) CYP2C9MAPK1HSD17B10NR1I2NPC1
SCHEMBL6239808 0.88 CYP2C9 (0.50) CYP2C9MAPK1HSD17B10NR1I2NPC1
SCHEMBL6231207 0.88 MAPK1 (0.66) CYP2C9MAPK1HSD17B10NR1I2NPC1
SCHEMBL6236792 0.88 MAPK1 (0.66) CYP2C9MAPK1HSD17B10NR1I2NPC1
SCHEMBL6231418 0.87 CYP2C9 (0.62) CYP2C9MAPK1HSD17B10NR1I2XBP1
SCHEMBL6736663 0.84 MAPK1 (0.64) CYP2C9MAPK1HSD17B10NR1I2NPC1
SCHEMBL6232673 0.84 HSD17B10 (0.64) CYP2C9MAPK1HSD17B10NR1I2NPC1

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 CYP2C9 1218/4885MAPK1 3699/4885HSD17B10 1428/4885

“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.