SCHEMBL3378024

SCHEMBL3378024

Cc1ccc(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 2/20 0.53
PKM P14618 2/20 0.49
ACHE P22303 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 3/20 0.44
BCHE P06276 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 2/20 0.42
CXCR5 P32302 1/20 0.42
APLNR P35414 1/20 0.42
CCR6 P51684 1/20 0.42

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
SCHEMBL908477 0.78 PKM (0.53) KMT2ARAB9AMEN1PKMACHE
SCHEMBL3381747 0.78 KMT2A (0.44) KMT2ARAB9AMEN1ACHEALDH1A1
SCHEMBL3381147 0.76 ACHE (0.61) KMT2ARAB9AMEN1PKMACHE
SCHEMBL28981558 0.76 ALDH1A1 (0.41) RAB9AALDH1A1POLBCYP3A4CA9
SCHEMBL1684411 0.75 ALDH1A1 (0.48) KMT2AMEN1ACHEHSD17B10ALDH1A1
SCHEMBL14780384 0.72 KMT2A (0.60) KMT2ARAB9AMEN1PKMALDH1A1
SCHEMBL3379806 0.72 CYP1A2 (0.45) HSD17B10ALDH1A1POLBGAACYP3A4
SCHEMBL30468473 0.72 CYP1A2 (0.45) HSD17B10ALDH1A1POLBGAACYP3A4
SCHEMBL4176109 0.71 ERN1 (0.47) KMT2AMEN1ALDH1A1GAACYP3A4
SCHEMBL15054397 0.71 KDM4E (0.46) ALDH1A1POLBGAACYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-06-24 US disclosed
EP-1844768-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-17 EP 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-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR NR3C2, AGTR1, AGTR2 KMT2A 2770/4885RAB9A 2851/4885MEN1 2674/4885

“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.