SCHEMBL2526951

SCHEMBL2526951

CC(C)CNCc1cc(Br)cs1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.42
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12651137 0.84 CA2 (0.34) CA2TSHRHSD17B10SLC6A4SLC6A3
SCHEMBL13995881 0.77 ALDH1A1 (0.38) TSHRHSD17B10SLC6A4SLC6A3ALDH1A1
SCHEMBL13995989 0.77 ALDH1A1 (0.38) TSHRHSD17B10SLC6A4SLC6A3ALDH1A1
SCHEMBL626634 0.75 SLC6A4 (0.39) TSHRHSD17B10SLC6A4SLC6A3NPC1
SCHEMBL70198 0.75
SCHEMBL172640 0.74 CA2 (0.34) CA2TSHRHSD17B10SLC6A4SLC6A3
SCHEMBL2530079 0.72 CA2 (0.41) CA2KMT2AALDH1A1
SCHEMBL8239568 0.70 ALDH1A1 (0.38) TSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL15055229 0.70 CA2 (0.40) CA2ALDH1A1
SCHEMBL10411241 0.69 KMT2A (0.61) TSHRMEN1KMT2AALDH1A1SMN1; SMN2

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-8039493-B2 Biaryl sulfonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
CN-101808983-A biaryl sulfonamide derivatives HOFFMANN LA ROCHE 2010-08-18 CN disclosed
EP-2205556-A2 BIARYL SULFONAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009040289-A2 BIARYL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO disclosed
US-20090088459-A1 NOVEL BIARYL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US 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-20090088459-A1 NOVEL BIARYL SULFONAMIDE DERIVATIVES NR1H3, NR1H2, NR1H4 CA2 2664/4885TSHR 279/4885HSD17B10 275/4885

“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.