SCHEMBL5208503

SCHEMBL5208503

Cc1ccc(S(=O)(=O)C(CN)c2cccc(Br)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
GBA1 P04062 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 3/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36
CTSA P10619 1/20 0.36
TP53 P04637 1/20 0.36
CYP19A1 P11511 1/20 0.35
MAOB P27338 1/20 0.35
NPY2R P49146 1/20 0.35

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
SCHEMBL4796158 0.78 EGFR (0.45) EGFRERBB2GBA1CA12CA1
SCHEMBL571272 0.76 EGFR (0.40) EGFRERBB2GBA1CA12CA1
SCHEMBL4796154 0.73 EGFR (0.41) EGFRERBB2GBA1CA12CA1
SCHEMBL5771491 0.71 EGFR (0.41) EGFRERBB2GBA1CA12CA1
SCHEMBL6624405 0.70 EGFR (0.49) EGFRERBB2CA12CA1CA2
SCHEMBL30176770 0.70 TAAR1 (0.57) GBA1ALDH1A1MAPK1
SCHEMBL28403301 0.70 CA1 (0.48) GBA1CA12CA1CA2CA9
SCHEMBL3178484 0.70 TAAR1 (0.57) GBA1ALDH1A1MAPK1
SCHEMBL5693758 0.70 CA1 (0.48) GBA1CA12CA1CA2CA9
SCHEMBL7755995 0.69 EGFR (0.40) EGFRERBB2GBA1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421079-B1 THIOPHENYL COMPOUNDS AS MEDICAMENTS ASTRAZENECA AB (SE) 2007-02-07 EP disclosed
US-7098240-B2 Compounds ASTRAZENECA AB (SE) 2006-08-29 US disclosed
US-20040235821-A1 Novel compounds ASTRAZENECA AB (SE) 2004-11-25 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-20040235821-A1 Novel compounds ABCG2, UGT1A1, SULT1E1 EGFR 1221/4885ERBB2 759/4885GBA1 206/4885

“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.