SCHEMBL3687664

SCHEMBL3687664

Cc1ccc(S(=O)(=O)C(I)I)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
ALOX12 P18054 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 2/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
MEP1B Q16820 1/20 0.41
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1567289 0.82 MAOA (0.35) ALDH1A1MAPTHPGDPOLBALOX12
SCHEMBL10408495 0.82 ALDH1A1 (0.45) ALDH1A1MAPTHPGDPOLBALOX12
SCHEMBL16350104 0.82 ALDH1A1 (0.45) ALDH1A1MAPTHPGDPOLBALOX12
SCHEMBL751573 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHPGDKMT2ALMNA
SCHEMBL752407 0.81 GAA (0.46) ALDH1A1GAAL3MBTL1
SCHEMBL753254 0.81 CA1 (0.49) KMT2ALMNAPKML3MBTL1MEN1
SCHEMBL23717704 0.78 ALDH1A1 (0.42) ALDH1A1MAPTHPGDPOLBALOX12
SCHEMBL12248185 0.78 SMN1; SMN2 (0.44) ALDH1A1MAPTHPGDPOLBALOX12
SCHEMBL12332493 0.77 ALDH1A1 (0.41) ALDH1A1MAPTHPGDPOLBALOX12
SCHEMBL6112926 0.77 ALDH1A1 (0.47) ALDH1A1MAPTHPGDPOLBALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone THOR GMBH (DE) 2010-07-29 US claimed
EP-2216372-B1 Compounds for preventing Ghost odour THOR GMBH (DE) 2014-06-04 EP disclosed
US-8287631-B2 Compounds for preventing ghost odour THOR GMBH (DE) 2012-10-16 US disclosed
US-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone THOR GMBH (DE) 2010-07-29 US disclosed
US-20100186631-A1 Compounds for preventing ghost odour THOR GMBH (DE) 2010-07-29 US disclosed
US-4018611-A Non-yellowing antimicrobial compositions comprising diiodomethyl sulfones METALORGANA ETABLISSEMENT (FL) 1977-04-19 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-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone MBTD1, MPST, B2M ALDH1A1 553/4885MAPT 2308/4885HPGD 2124/4885

“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.