SCHEMBL7017677

SCHEMBL7017677

CC(CS(=O)(=O)c1ccc2cc(Br)ccc2c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
MMP2 P08253 7/20 0.40
MMP1 P03956 5/20 0.40
MMP3 P08254 5/20 0.40
MMP7 P09237 5/20 0.40
MMP9 P14780 5/20 0.40
MMP13 P45452 5/20 0.40
ADAM17 P78536 1/20 0.39
BMP1 P13497 1/20 0.38
GAA P10253 1/20 0.38
MMP14 P50281 1/20 0.38
NLRP3 Q96P20 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MCL1 Q07820 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL7013349 0.83 F10 (0.47) AKR1C3AKR1C2
SCHEMBL948719 0.75 ALDH1A1 (0.56) ALDH1A1KMT2ALMNAL3MBTL1POLB
SCHEMBL7365625 0.73 PSIP1 (0.52) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL7014867 0.70 POLB (0.52) MMP2MMP1ALDH1A1MCL1MEN1
SCHEMBL28245547 0.70 TSHR (0.49) MMP2MEN1KMT2ALMNA
SCHEMBL28386527 0.69 PLCG1 (0.46) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL330253 0.69 PLCG1 (0.59) MMP2MMP1MMP3MMP7MMP9
SCHEMBL3883747 0.69 AKR1C3 (0.49) AKR1C3AKR1C2ALDH1A1MEN1KMT2A
SCHEMBL4625949 0.69 SNCA (0.51) MMP2MMP1MMP9MMP13ALDH1A1
SCHEMBL5951016 0.69 GAA (0.50) GAAALDH1A1MCL1MEN1KMT2A

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-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH AKR1C3 2276/4885AKR1C2 2322/4885MMP2 4420/4885

“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.