SCHEMBL7129408

SCHEMBL7129408

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.35
AOC3 Q16853 1/20 0.34
KDM1A O60341 4/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
SLC40A1 Q9NP59 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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 SCHEMBL7131073 0.99 AOC3 (0.36) VEGFAAOC3KDM1ACA1CA2
SCHEMBL7131950 0.91 VEGFA (0.36) VEGFAKDM1ACA1CA2CA9
SCHEMBL7137251 0.89 HTR2A (0.34) CA1CA2CA9CA12CA7
SCHEMBL7129412 0.88 CA1 (0.39) VEGFAAOC3KDM1ACA1CA2
Hydrochloric Acid SCHEMBL7248156 0.88 HTR2A (0.34) CA1CA2CA9CA12CA7
Hydrochloric Acid SCHEMBL7131071 0.88 CA1 (0.39) VEGFAAOC3KDM1ACA1CA2
SCHEMBL7134128 0.86 POLB (0.35) MAPTSMN1; SMN2L3MBTL1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7250224 0.85 POLB (0.34) MAPTSMN1; SMN2L3MBTL1ALDH1A1MAPK1
SCHEMBL7135861 0.84 FOLH1 (0.39) VEGFACA9MAPTCYP2C9CYP2C19
SCHEMBL7126959 0.84 MAPT (0.40) KDM1AMAPTTDP1L3MBTL1ALDH1A1

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 VEGFA 1681/4885AOC3 4373/4885KDM1A 2450/4885

“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.