SCHEMBL3194249

SCHEMBL3194249

CS(=O)(=O)c1ccsc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.44
LMNA P02545 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PTGS1 P23219 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL7198696 0.81 PTGS2 (0.58) PTGS2TP53KDM4EKMT2A
SCHEMBL29788178 0.73 PTGS2 (0.49) PTGS2CA12CA1CA2CA9
SCHEMBL890515 0.73 PTGS2 (0.49) PTGS2CA12CA1CA2CA9
SCHEMBL2531253 0.72 LMNA (0.68) LMNATSHRKDM4EKMT2A
SCHEMBL2349058 0.70 CA12 (0.66) PTGS2CA12CA1CA2CA9
SCHEMBL22551282 0.67 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL34837 0.67 CA2 (0.61) PTGS2CA12CA1CA2CA9
SCHEMBL5405584 0.66 CDC25B (0.53) PTGS2CA12CA1CA2CA9
SCHEMBL2040391 0.66 RXRA (0.47) PTGS1RXRARXRBTP53TSHR
Hydrochloric Acid SCHEMBL11213950 0.65 CA2 (0.59) PTGS2CA12CA1CA2CA9

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-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses FINLEY DON RICHARD 2010-02-04 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-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses HRH3, HRH4, HCRTR1 PTGS2 3246/4885LMNA 4170/4885CA12 1439/4885

“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.