SCHEMBL4071201

SCHEMBL4071201

COC(=O)c1ccc(Cl)cc1SCl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.60
MAPT P10636 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NR4A2 P43354 2/20 0.49
RXFP1 Q9HBX9 1/20 0.48
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43

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
SCHEMBL20889410 0.86 ABL1 (0.56) ABL1MAPTL3MBTL1NPC1NFKB1
SCHEMBL25826611 0.85 ABL1 (0.63) ABL1MAPTL3MBTL1NPC1NFKB1
SCHEMBL9660294 0.83 ABL1 (0.53) ABL1MAPTL3MBTL1NPC1NFKB1
SCHEMBL28440107 0.80 ABL1 (0.56) ABL1MAPTL3MBTL1NPC1NFKB1
SCHEMBL9323068 0.80 ABL1 (0.53) ABL1MAPTL3MBTL1NPC1NFKB1
SCHEMBL2473934 0.80 ABL1 (0.53) ABL1MAPTL3MBTL1NPC1NFKB1
SCHEMBL9660296 0.80 ABL1 (0.53) ABL1MAPTL3MBTL1NPC1NFKB1
SCHEMBL6100118 0.80 ABL1 (0.70) ABL1MAPTL3MBTL1NPC1NFKB1
SCHEMBL24457839 0.79 ABL1 (0.44) ABL1MAPTL3MBTL1NPC1NFKB1
SCHEMBL4068751 0.79 ABL1 (0.51) ABL1MAPTL3MBTL1NPC1NFKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives H. LUNDBECK A/S (DK) 2009-07-30 US disclosed
US-7534791-B2 Benzo[b]furane and benzo[b]thiophene derivatives H. LUNDBECK A/S (DK) 2009-05-19 US disclosed
US-20060287386-A1 Benzo[b]furane and benzo[b]thiophene derivatives H. LUNDBECK A/S (DK) 2006-12-21 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 (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-20060287386-A1 Benzo[b]furane and benzo[b]thiophene derivatives CYP1B1, TBCB, CYP4B1 ABL1 331/4885MAPT 3465/4885L3MBTL1 4328/4885
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives CYP1B1, TBCB, CYP4B1 ABL1 331/4885MAPT 3465/4885L3MBTL1 4328/4885

“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.