SCHEMBL1209898

SCHEMBL1209898

CS(=O)(=O)NC1CCN(C(=O)OC2CCc3c(sc(NC(=O)C=Cc4ccco4)c3C#N)C2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
POLB P06746 5/20 0.55
RAB9A P51151 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 4/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
NR0B1 P51843 1/20 0.55
EIF4H Q15056 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
HTT P42858 3/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN5 P54829 1/20 0.40
FLT3 P36888 1/20 0.40
TGFBR1 P36897 3/20 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
SCHEMBL1210221 0.89 ALDH1A1 (0.61) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL1208043 0.89 ALDH1A1 (0.65) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL1207808 0.89 ALDH1A1 (0.65) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL1208756 0.89 ALDH1A1 (0.54) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL1210236 0.89 ALDH1A1 (0.64) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL1207941 0.88 TGFBR1 (0.41) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL1209897 0.88 NOD1 (0.48) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL1209557 0.88 ALDH1A1 (0.61) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL1207817 0.87 ALDH1A1 (0.59) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL1209002 0.86 ALDH1A1 (0.61) ALDH1A1POLBRAB9AMEN1KMT2A

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 ALDH1A1 316/4885POLB 1250/4885RAB9A 2531/4885

“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.