SCHEMBL6231207

SCHEMBL6231207

CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(N)ccc21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.66
HSD17B10 Q99714 1/20 0.66
CYP2C9 P11712 3/20 0.60
NR1I2 O75469 1/20 0.60
CHEK1 O14757 1/20 0.36
WEE1 P30291 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL6733181 0.93 MAPK1 (0.55) MAPK1HSD17B10CYP2C9NR1I2CHEK1
SCHEMBL6235652 0.91 MAPK1 (0.68) MAPK1HSD17B10CYP2C9NR1I2CHEK1
SCHEMBL6739082 0.90 MAPK1 (0.67) MAPK1HSD17B10CYP2C9NR1I2CHEK1
SCHEMBL6232411 0.90 MAPK1 (0.67) MAPK1HSD17B10CYP2C9NR1I2CHEK1
Bromide SCHEMBL6686682 0.90 MAPK1 (0.52) MAPK1HSD17B10CYP2C9NR1I2CHEK1
SCHEMBL6233871 0.90 MAPK1 (0.66) MAPK1HSD17B10CYP2C9NR1I2CHEK1
SCHEMBL27585571 0.90 MAPK1 (0.66) MAPK1HSD17B10CYP2C9NR1I2CHEK1
SCHEMBL6738143 0.90 CYP2C9 (0.74) MAPK1HSD17B10CYP2C9NR1I2CHEK1
SCHEMBL6236792 0.90 MAPK1 (0.66) MAPK1HSD17B10CYP2C9NR1I2ALDH1A1
SCHEMBL12403127 0.89 MAPK1 (0.82) MAPK1HSD17B10CYP2C9NR1I2ALDH1A1

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 10 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
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.