SCHEMBL7108947

SCHEMBL7108947

CCCCN(S(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 8/20 0.39
CA12 O43570 5/20 0.39
CA9 Q16790 3/20 0.39
SERPINE1 P05121 1/20 0.37
TP53 P04637 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
CA2 P00918 5/20 0.35
ALDH1A1 P00352 2/20 0.34
ALDH2 P05091 1/20 0.34
CA14 Q9ULX7 2/20 0.33
PPARA Q07869 2/20 0.33
CA7 P43166 1/20 0.33
ESR1 P03372 1/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL1035915 0.81 CA1 (0.43) TDP1CA1CA12CA9TP53
SCHEMBL27564460 0.79 CA1 (0.42) TDP1CA1CA12CA9TP53
Hydrochloric Acid SCHEMBL10538290 0.79 CA1 (0.42) TDP1CA1CA12CA9TP53
SCHEMBL241253 0.77 MEN1 (0.40) TDP1CA1CA12CA9TP53
SCHEMBL11464417 0.77 CA1 (0.38) TDP1CA1CA12CA9TP53
SCHEMBL5959118 0.76 CA5A (0.36) TDP1CA1CA9CA2CA7
Sulfuric Acid SCHEMBL27883459 0.76 CA1 (0.46) TDP1CA1CA12CA9TP53
Sulfuric Acid SCHEMBL2148402 0.76 CA1 (0.46) TDP1CA1CA12CA9TP53
Sulfuric Acid SCHEMBL5874269 0.76 CA1 (0.46) TDP1CA1CA12CA9TP53
SCHEMBL17545124 0.76 TDP1 (0.47) TDP1CA1CA12CA9SERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030095924-A1 Galenical formulations SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-22 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-20030095924-A1 Galenical formulations GALR1, GALR2, LGALS1 TDP1 2074/4885CA1 1901/4885CA12 478/4885

“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.