SCHEMBL4606143

SCHEMBL4606143

CC(=O)c1sc(NC(=O)NCCCCN(C)Cc2ccc(C)c(C)c2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
LCK P06239 3/20 0.48
ALDH1A1 P00352 4/20 0.48
THRB P10828 1/20 0.48
DHODH Q02127 2/20 0.47
CSNK1D P48730 1/20 0.43
PKM P14618 1/20 0.42
CCR3 P51677 1/20 0.40

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
SCHEMBL14538507 0.93 LCK (0.47) GSK3AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL4604262 0.92 LCK (0.48) GSK3AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL4604183 0.88 GSK3A (0.52) GSK3AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL14538232 0.80 CCR3 (0.49) GSK3AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL4604374 0.79 CCR3 (0.50) GSK3AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL27740409 0.73 APP (0.48) CCR3
SCHEMBL4604725 0.73 CHEK1 (0.45) KMT2AMEN1ALDH1A1CCR3
SCHEMBL4605707 0.70 CCR3 (0.54) CCR3
SCHEMBL1911606 0.70 GSK3A (0.57) GSK3AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL14538537 0.69 KMT2A (0.41) SMN1; SMN2KMT2AMEN1ALDH1A1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 GSK3A 2583/4885GSK3B 2714/4885RAB9A 2140/4885

“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.