SCHEMBL3406778

SCHEMBL3406778

Cc1ccc(S(=O)(=O)C2(CN)CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 7/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
POLB P06746 3/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 2/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL28330359 0.83 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL3406334 0.82 GAA (0.58) CA12CA1CA2CA3CA6
SCHEMBL28329132 0.79 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL6386533 0.77 KMT2A (0.67) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL7541872 0.76 SMN1; SMN2 (1.00) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL7545717 0.74 KMT2A (0.96) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL7543813 0.74 KMT2A (0.96) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL7541382 0.72 SMN1; SMN2 (0.92) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL11785253 0.71 KMT2A (0.65) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL14544487 0.71 SMN1; SMN2 (0.63) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1

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 KMT2A 1232/4885SMN1; SMN2 4605/4885ALDH1A1 58/4885

“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.