SCHEMBL4924176

SCHEMBL4924176

COCCN(CCOC)Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 5/20 0.56
CXCR3 P49682 2/20 0.56
PTGES O14684 1/20 0.56
TAS2R8 Q9NYW2 1/20 0.56
CNR2 P34972 13/20 0.55
CNR1 P21554 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL14025603 0.88 TAS2R14 (0.58) TAS2R14CNR2MEN1KMT2A
SCHEMBL4920994 0.83 CNR2 (0.63) TAS2R14CNR2CNR1MEN1KMT2A
SCHEMBL8281042 0.82 MEN1 (0.51) CNR2MEN1KMT2A
SCHEMBL4786730 0.80 CXCR3 (0.58) TAS2R14CXCR3PTGESTAS2R8CNR2
SCHEMBL8281044 0.78 MEN1 (0.51) CNR2MEN1KMT2A
SCHEMBL28729777 0.78 TAS2R14 (0.80) TAS2R14CXCR3PTGESTAS2R8CNR2
SCHEMBL4917430 0.77 CNR2 (0.68) TAS2R14CNR2CNR1MEN1KMT2A
SCHEMBL6497006 0.77 MAPK1 (0.65) MEN1KMT2A
SCHEMBL984791 0.77 TAS2R14 (0.71) TAS2R14CXCR3CNR2MEN1KMT2A
SCHEMBL9504529 0.76 MEN1 (0.48) CNR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A TAS2R14 4808/4885CXCR3 248/4885PTGES 2521/4885

“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.