SCHEMBL1208992

SCHEMBL1208992

CC(CC(=O)Nc1sc2c(c1C#N)CCC(OC(=O)NCC1CCCCO1)C2)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
MAPT P10636 6/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 7/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
SAE1 Q9UBE0 1/20 0.40

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
SCHEMBL1208735 0.98 HPGD (0.54) HPGDMAPTGAAALDH1A1NPC1
SCHEMBL14292979 0.89 HPGD (0.53) HPGDMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL1208755 0.88 MAPT (0.43) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL1209159 0.87 HPGD (0.53) HPGDMAPTGAAALDH1A1NPC1
SCHEMBL1209712 0.84 ALDH1A1 (0.50) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL1207125 0.84 ALDH1A1 (0.44) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL1208282 0.84 ALDH1A1 (0.51) HPGDMAPTGAAALDH1A1NPC1
SCHEMBL1209532 0.84 ALDH1A1 (0.42) HPGDMAPTGAAALDH1A1NPC1
SCHEMBL1208817 0.83 ALDH1A1 (0.43) HPGDMAPTGAAALDH1A1NPC1
SCHEMBL1208984 0.83 MAPT (0.44) HPGDMAPTGAAALDH1A1NPC1

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
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 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 (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 2097/4885MAPT 865/4885GAA 3689/4885

“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.