SCHEMBL7129412

SCHEMBL7129412

NCc1c(OCc2ccccc2)ccc2c1C(S(=O)(=O)c1ccccc1)CS2(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
VEGFA P15692 1/20 0.36
AOC3 Q16853 1/20 0.35
KDM1A O60341 5/20 0.34
CA12 O43570 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
SLC40A1 Q9NP59 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.32
MAPK14 Q16539 2/20 0.32
LTA4H P09960 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
Hydrochloric Acid SCHEMBL7131071 0.99 CA1 (0.39) CA1CA2CA9VEGFAAOC3
SCHEMBL7131955 0.89 VEGFA (0.38) CA1CA2CA9VEGFAKDM1A
SCHEMBL7137256 0.89 HTR2A (0.35) CA1CA2CA9CA12CA7
SCHEMBL7129408 0.88 VEGFA (0.35) CA1CA2CA9VEGFAAOC3
Hydrochloric Acid SCHEMBL7248153 0.88 HTR2A (0.34) CA1CA2CA9CA12CA7
Hydrochloric Acid SCHEMBL7131073 0.88 AOC3 (0.36) CA1CA2CA9VEGFAAOC3
SCHEMBL7134132 0.86 HTR6 (0.34) CA1CA2CA9ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7250221 0.85 HTR6 (0.33) CA1CA2CA9HTR2CHTR2B
SCHEMBL7126960 0.83 CA1 (0.42) CA1CA2CA9KDM1ALMNA
SCHEMBL7135865 0.83 FOLH1 (0.39) CA1CA2CA9VEGFAMAPT

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-20030073706-A1 Fused thiophone derivatives and drugs containing the same as the active ingredient KONISHI MIKIO (JP) 2003-04-17 US claimed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed

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-20030073706-A1 Fused thiophone derivatives and drugs containing the same as the active ingredient TPMT, CD47, THPO CA1 2040/4885CA2 3155/4885CA9 3056/4885

“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.