SCHEMBL5509780

SCHEMBL5509780

COc1cc(S(N)(=O)=O)sc1Br

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.53
PKM P14618 1/20 0.41
MAPT P10636 2/20 0.40
PRKDC P78527 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA9 Q16790 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5524092 0.76 CA2 (0.44) CA2MAPTPOLBLMNACA1
SCHEMBL5521729 0.75 CA2 (0.50) CA2PKMCA12CA1CA9
SCHEMBL5512490 0.75 CA2 (0.40) CA2
SCHEMBL21962066 0.73 CA2 (0.45) CA2MAPTALDH1A1LMNAHTT
SCHEMBL5509508 0.72 OPRD1 (0.49) CA2PKMMAPTPRKDCPOLB
SCHEMBL10371737 0.71 CA2 (0.62) CA2
SCHEMBL2345395 0.71 CA2 (0.41) CA2MAPTALDH1A1CA12CA1
SCHEMBL5515628 0.70 CA2 (0.37) CA2PKMCA12CA1CA9
SCHEMBL10369128 0.70 CA2 (0.65) CA2PKMCA12CA1CA9
SCHEMBL2173848 0.69 CA2 (1.00) CA2ALDH1A1LMNACA12CA1

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 11 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-7250430-B2 Thiophene-and thiazolesulfonamides as antineoplastic agents ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-7250430-B2 Thiophene-and thiazolesulfonamides as antineoplastic agents ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
CN-1298709-C Thiophene-amd thiazolesulfonamides as antineoplastic agents LILLY CO ELI (US) 2007-02-07 CN disclosed
US-20060223871-A1 Thiophene-and thiazolesulfonamides as antineoplastic agents GROSSMAN CORA S 2006-10-05 US disclosed
EP-1442030-B1 THIOPENE- AMD THIAZOLESULFONAMIDES AS ANTINEOPLASTIC AGENTS LILLY CO ELI (US) 2006-08-30 EP disclosed
US-7084170-B2 Thiophene-amd thiazolesulfonamides as antineoplastic agents ELI LILLY AND COMPANY (US) 2006-08-01 US disclosed
CN-1575286-A Thiophene-amd thiazolesulfonamides as antineoplastic agents LILLY CO ELI (US) 2005-02-02 CN disclosed
US-20040198784-A1 Thiophene-amd thiazolesulfonamides as antineoplastic agents GROSSMAN CORA SUE (US) 2004-10-07 US disclosed
EP-1442030-A1 THIOPENE- AMD THIAZOLESULFONAMIDES AS ANTINEOPLASTIC AGENTS ELI LILLY AND COMPANY (US) 2004-08-04 EP disclosed
WO-2003035629-A1 THIOPENE- AMD THIAZOLESULFONAMIDES AS ANTINEOPLASTIC AGENTS ELI LILLY AND COMPANY (US) 2003-05-01 WO 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 (2 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 CA2 1394/4885PKM 3224/4885MAPT 3749/4885
US-20040198784-A1 Thiophene-amd thiazolesulfonamides as antineoplastic agents ALDH1A2, MGMT, NR2E3 CA2 2965/4885PKM 2858/4885MAPT 3878/4885

“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.