SCHEMBL8030735

SCHEMBL8030735

CCC(C(=O)O)N1Cc2sc(-c3ccc(-c4cncnc4)cc3)cc2S1(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
HDAC8 Q9BY41 2/20 0.32
PHGDH O43175 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
BRD4 O60885 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
SCHEMBL13786721 0.89 BACE1 (0.38) HDAC8HSD17B10
SCHEMBL8028979 0.88 MAPT (0.37) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL13786766 0.87 JAK2 (0.39) HDAC8BRD4
SCHEMBL8025882 0.86 MMP1 (0.37) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL8028388 0.86 PRMT5 (0.33)
SCHEMBL8018731 0.86 HDAC8 (0.37) HDAC8KDM4EALDH1A1HPGDMAPK1
SCHEMBL13786858 0.86 TP53 (0.33) TP53MAPT
SCHEMBL13786795 0.86 MAPT (0.39) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL8018468 0.85 MAPT (0.37) KDM4EALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL8027529 0.84 STK17B (0.36) KDM4ESMN1; SMN2TP53MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
WO-2009084501-A1 SULTAM DERIVATIVE ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-09 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-20090192154-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, ADAMTS1 AKR1C3 751/4885AKR1C2 489/4885HDAC8 743/4885

“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.