SCHEMBL4604183

SCHEMBL4604183

CC(=O)c1sc(NC(=O)NCCCCN(C)Cc2ccc(F)cc2)nc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
CCR3 P51677 7/20 0.51
ACKR3 P25106 3/20 0.45
NPC1 O15118 6/20 0.45
KMT2A Q03164 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 4/20 0.45
HPGD P15428 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 2/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL14538232 0.93 CCR3 (0.49) GSK3AGSK3BCCR3ACKR3NPC1
SCHEMBL4604374 0.91 CCR3 (0.50) GSK3AGSK3BCCR3ACKR3NPC1
SCHEMBL4606143 0.88 GSK3A (0.51) GSK3AGSK3BCCR3NPC1KMT2A
SCHEMBL14538507 0.80 LCK (0.47) GSK3AGSK3BCCR3ACKR3NPC1
SCHEMBL4604262 0.79 LCK (0.48) GSK3AGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL4891368 0.75 CCR3 (0.53) CCR3ACKR3KMT2ARAB9AMEN1
SCHEMBL5394989 0.73 CCR3 (0.50) GSK3AGSK3BCCR3CYP2D6CXCR1
SCHEMBL4900572 0.72 CCR3 (0.62) CCR3ACKR3KMT2ARAB9ASMN1; SMN2
SCHEMBL27719387 0.72 TMEM97 (0.60) CCR3ACKR3KMT2ARAB9AMEN1
SCHEMBL4605023 0.71 CCR3 (0.57) CCR3ACKR3KMT2ATMEM97SIGMAR1

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 6 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
CN-101296911-A Arylurea derivatives as modulators of chemokine receptor activity NOVARTIS AG (CH) 2008-10-29 CN 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 2714/4885CCR3 1/4885

“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.