SCHEMBL1209792

SCHEMBL1209792

N#Cc1c(NC(=O)C=Cc2ccsc2)sc2c1CCC(OC(=O)NCC1CCCO1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.46
ALDH1A1 P00352 11/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
NR0B1 P51843 1/20 0.42
PTPN5 P54829 1/20 0.41
MAPK10 P53779 1/20 0.40
PKM P14618 1/20 0.40
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL1210302 0.90 PTPN5 (0.46) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL1209591 0.89 PTPN5 (0.46) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL1209273 0.89 TGFBR1 (0.46) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL1210357 0.88 NOD1 (0.47) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL1209869 0.87 PTPN5 (0.49) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL1209594 0.87 TGFBR1 (0.44) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL12895224 0.87 TGFBR1 (0.44) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL1210508 0.87 TGFBR1 (0.45) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL1209705 0.86 PTPN5 (0.47) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL1207904 0.86 ALDH1A1 (0.62) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1

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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
EP-2051974-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2009-04-29 EP disclosed
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 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 (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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD TGFBR1 1167/4885ALDH1A1 316/4885POLB 1250/4885

“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.