SCHEMBL5509508

SCHEMBL5509508

COc1cc(Br)sc1S(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.49
CA2 P00918 6/20 0.42
PKM P14618 2/20 0.42
PRKDC P78527 1/20 0.40
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
LCK P06239 1/20 0.35

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
SCHEMBL5509780 0.72 CA2 (0.53) CA2PKMPRKDCPOLBL3MBTL1
SCHEMBL31488146 0.70 OPRD1 (0.40) OPRD1CA2CA1CA9
SCHEMBL14871900 0.70
SCHEMBL5517761 0.69 CA1 (0.42) OPRD1CA2POLBL3MBTL1LMNA
SCHEMBL5509692 0.69 OPRD1 (0.38) OPRD1CA2PKMPOLBCA12
SCHEMBL21737576 0.69
SCHEMBL6819016 0.68 PKM (0.58) CA2PKMPRKDCPOLBL3MBTL1
SCHEMBL27604843 0.67
SCHEMBL31172608 0.67 PKM (0.61) CA2PKMPRKDCPOLBL3MBTL1
SCHEMBL31036467 0.67 PKM (0.56) CA2PKMPRKDCPOLBL3MBTL1

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-7250430-B2 Thiophene-and thiazolesulfonamides as antineoplastic agents ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-20060223871-A1 Thiophene-and thiazolesulfonamides as antineoplastic agents GROSSMAN CORA S 2006-10-05 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-20060223871-A1 Thiophene-and thiazolesulfonamides as antineoplastic agents TPMT, TST, MGMT OPRD1 4641/4885CA2 1394/4885PKM 3224/4885

“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.