SCHEMBL3409422

SCHEMBL3409422

NCC1(S(=O)(=O)c2ccccc2)Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
HTR7 P34969 7/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
PLA2G7 Q13093 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3406334 0.80 GAA (0.58) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL1103915 0.76 GAA (0.52) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL12440542 0.73 GAA (0.44) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL8394591 0.68 GAA (0.52) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL13378315 0.68 GAA (0.52) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL3409397 0.68 GAA (0.43) GAAMCOLN3HTR7HTR1AHTR2A
SCHEMBL14181658 0.67 CYP3A4 (0.49) GAAMCOLN3SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL29624815 0.67 MME (0.45) HTR2AMMP8
SCHEMBL20130556 0.66 HTR2A (0.42) HTR2A
SCHEMBL1103913 0.66 GAA (0.48) GAAMCOLN3HTR7HTR1AHTR2A

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
EP-2200979-B1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2012-12-12 EP disclosed
US-8283378-B2 Phenylurea inhibitors of the SOAT-1 enzyme and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-09 US disclosed
US-20100222431-A1 NOVEL PHENYLUREA INHIBITORS OF THE SOAT-1 ENZYME AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 US disclosed
EP-2200979-A1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2010-06-30 EP disclosed
WO-2009030752-A1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-12 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-20100222431-A1 NOVEL PHENYLUREA INHIBITORS OF THE SOAT-1 ENZYME AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF SOAT1, SOAT2, ACAT2 GAA 170/4885MCOLN3 2625/4885HTR7 4362/4885

“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.