SCHEMBL945222

SCHEMBL945222

O=S(=O)(CCc1ccc(SSc2ccc(CCS(=O)(=O)c3ccccc3)cc2)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
MMP13 P45452 2/20 0.45
MMP3 P08254 1/20 0.45
MMP8 P22894 1/20 0.45
PSIP1 O75475 1/20 0.44
LOX P28300 1/20 0.43
HTR6 P50406 1/20 0.43
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA7 P43166 2/20 0.42
CA13 Q8N1Q1 2/20 0.42
MMP12 P39900 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.40
TBXAS1 P24557 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
SCHEMBL3241520 0.85 LOX (0.54) HDAC1HDAC8MMP13PSIP1LOX
SCHEMBL3796571 0.81 MAPT (0.59) MMP13MMP3MMP8PSIP1CA2
SCHEMBL20436788 0.80 KMT2A (0.65) HDAC1HDAC8PSIP1NPC1KMT2A
SCHEMBL9815794 0.80 TDP1 (0.54) HDAC1HDAC8MMP13PSIP1LOX
SCHEMBL6509990 0.80 MAOB (0.57) HDAC1HDAC8MMP13PSIP1LOX
SCHEMBL1982525 0.77 HDAC1 (0.61) HDAC1HDAC8MMP13CA2CA12
SCHEMBL10587732 0.77 HDAC1 (0.54) HDAC1HDAC8MMP13MMP8CA2
SCHEMBL19248976 0.76 HDAC1 (0.65) HDAC1HDAC8MMP13MMP12HSD11B1
SCHEMBL31135379 0.76 HDAC1 (0.46) HDAC1HDAC8PSIP1LOXHTR6
SCHEMBL10995947 0.75 HDAC1 (0.63) HDAC1HDAC8MMP13MMP3MMP8

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-8987516-B2 Process for producing arylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2015-03-24 US disclosed
US-20110004022-A1 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2011-01-06 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-20110004022-A1 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA HDAC1 4090/4885HDAC8 4503/4885MMP13 4443/4885

“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.