SCHEMBL13213151

SCHEMBL13213151

COC(=O)CCCCCNCCCS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
CA12 O43570 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
EPHX2 P34913 4/20 0.42
PAOX Q6QHF9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
TLR2 O60603 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
SCHEMBL10119664 0.89 TSHR (0.56) TSHRCA12CA14CA2CA7
SCHEMBL13762658 0.89 TSHR (0.56) TSHRCA12CA14CA2CA7
SCHEMBL13762659 0.89 TSHR (0.56) TSHRCA12CA14CA2CA7
SCHEMBL1403320 0.87 TSHR (0.54) TSHRCA12CA14CA2CA7
SCHEMBL1403311 0.87 TSHR (0.54) TSHRCA12CA14CA2CA7
SCHEMBL17188351 0.87 TSHR (0.58) TSHRCA12CA14CA2CA7
SCHEMBL2586098 0.87 TSHR (0.64) TSHRCA12CA14CA2CA7
SCHEMBL20283628 0.87 TSHR (0.64) TSHRCA12CA14CA2CA7
SCHEMBL16730520 0.87 TSHR (0.64) TSHRCA12CA14CA2CA7
SCHEMBL8214934 0.87 TSHR (0.64) TSHRCA12CA14CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393805-B1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP BIOTIUM INC (US) 2015-08-26 EP disclosed
US-9006437-B2 Xanthene dyes comprising a sulfonamide group BIOTIUM, INC. (US) 2015-04-14 US disclosed
US-9006437-B2 Xanthene dyes comprising a sulfonamide group BIOTIUM, INC. (US) 2015-04-14 US disclosed
US-20140011208-A1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP BIOTIUM, INC. 2014-01-09 US disclosed
US-20140011208-A1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP BIOTIUM, INC. 2014-01-09 US disclosed
US-8436170-B2 Xanthene dyes comprising a sulfonamide group BIOTIUM, INC. (US) 2013-05-07 US disclosed
US-20100197030-A1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP BIOTIUM, INC. (US) 2010-08-05 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-20100197030-A1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP XDH, ARSA, STS TSHR 3159/4885CA12 77/4885CA14 88/4885

“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.