SCHEMBL1208852

SCHEMBL1208852

N#Cc1c(NC(=O)CCc2ccco2)sc2c1CCC(O)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
MAPT P10636 5/20 0.55
LMNA P02545 3/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 4/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 3/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
NR0B1 P51843 1/20 0.46
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL1208031 0.89 ALDH1A1 (0.51) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL1207760 0.84 GCGR (0.54) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL2888131 0.82 ALDH1A1 (0.53) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL1209695 0.81 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL1207312 0.80 MAPT (0.48) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL1207607 0.80 MAPT (0.49) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL1209796 0.79 MAPT (0.53) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL3417982 0.78 MEN1 (0.53) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL1209485 0.78 POLB (0.75) ALDH1A1MAPTLMNAHSD17B10POLB
SCHEMBL1209481 0.78 POLB (0.75) ALDH1A1MAPTLMNAHSD17B10POLB

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 316/4885MAPT 865/4885LMNA 3666/4885

“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.