SCHEMBL10176542

SCHEMBL10176542

Cc1ccc(S(=O)(=O)NCBr)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
GBA1 P04062 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
CYP19A1 P11511 1/20 0.56
TSHR P16473 1/20 0.56
CA2 P00918 2/20 0.55
CA1 P00915 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55

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
SCHEMBL6354094 0.84 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL5567042 0.83 ALDH1A1 (0.75) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL4581466 0.81 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL7092060 0.81 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL6355304 0.81 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL126985 0.81 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL8213969 0.81 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL7094581 0.80 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL11874029 0.79 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL5527861 0.79 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106036-B2 Pharmaceutical compositions-4 HARBOR BIOSCIENCES, INC. (US) 2012-01-31 US disclosed
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 BIOVIE INC. 2010-09-02 US disclosed
US-7723532-B2 Pharmaceutical compositions 3 HARBOR BIOSCIENCES, INC. (US) 2010-05-25 US disclosed
US-20090215737-A1 Pharmaceutical Compositions - 2 BIOVIE INC. 2009-08-27 US disclosed
US-7524835-B2 Tetrol steroids and esters HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2009-04-28 US disclosed
EP-1223941-B1 THERAPEUTIC TREATMENTS FOR BLOOD CELL DEFICIENCIES USING SREROIDS HOLLIS EDEN PHARMACEUTICALS (US) 2008-11-05 EP disclosed
US-20080176824-A1 Pharmaceutical Compositions 3 BIOVIE INC. 2008-07-24 US disclosed
US-7396827-B2 Pharmaceutical compositions and treatment methods HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2008-07-08 US disclosed
US-20080045490-A1 Pharmaceutical Compositions BIOVIE INC. 2008-02-21 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 (4 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-20080045490-A1 Pharmaceutical Compositions HSD3B1, HSD17B3, HSD17B1 ALDH1A1 1519/4885MEN1 1735/4885KMT2A 2724/4885
US-20090215737-A1 Pharmaceutical Compositions - 2 HSD3B2, HSD3B1, HSD17B2 ALDH1A1 3156/4885MEN1 2221/4885KMT2A 1951/4885
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 HSD3B1, HSD3B2, HSD17B7 ALDH1A1 2570/4885MEN1 2281/4885KMT2A 2863/4885
US-20080176824-A1 Pharmaceutical Compositions 3 HSD3B1, HSD17B3, HSD3B2 ALDH1A1 2340/4885MEN1 2267/4885KMT2A 3418/4885

“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.