SCHEMBL12895285

SCHEMBL12895285

CC(CC(=O)Nc1sc2c(c1N)CCC(COC(=O)NCc1ccno1)C2)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
TSHR P16473 1/20 0.35
TNIK Q9UKE5 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 5/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
RORC P51449 1/20 0.33
THRB P10828 2/20 0.33

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
SCHEMBL1209541 0.90 ALDH1A1 (0.43) HPGDKDM4EMEN1KMT2ARAB9A
SCHEMBL14292397 0.88 HPGD (0.37) HPGDTSHRMEN1KMT2ARAB9A
SCHEMBL12895520 0.88 NPC1 (0.38) HPGDTSHRTNIKMEN1KMT2A
SCHEMBL12895367 0.87 ALDH1A1 (0.38) HPGDTSHRTNIKKDM4EMEN1
SCHEMBL12895693 0.86 RORC (0.39) HPGDTSHRTNIKKDM4EMEN1
SCHEMBL12895686 0.86 L3MBTL1 (0.50) HPGDKDM4EKMT2ARAB9AALDH1A1
SCHEMBL12895474 0.85 RORC (0.35) HPGDTSHRTNIKKDM4EMEN1
SCHEMBL14293242 0.84 MEN1 (0.36) HPGDTSHRTNIKKDM4EMEN1
SCHEMBL12895689 0.84 MEN1 (0.36) HPGDTSHRTNIKKDM4EMEN1
SCHEMBL12895262 0.83 L3MBTL1 (0.36) HPGDTSHRTNIKKDM4EMEN1

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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US 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 HPGD 2097/4885TSHR 1203/4885TNIK 1653/4885

“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.