SCHEMBL5114136

SCHEMBL5114136

COc1cc(N2CCOCC2)cc2sc(C(N)=O)c(N)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.50
CDK8 P49336 2/20 0.43
CDK19 Q9BWU1 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 4/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
PKM P14618 1/20 0.42
HIF1A Q16665 2/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LRRK2 Q5S007 1/20 0.38
POLB P06746 1/20 0.38
MAPK10 P53779 1/20 0.38
THRB P10828 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL5110372 0.88 IKBKB (0.47) IKBKBCDK8CDK19ALDH1A1KDM4E
SCHEMBL5114797 0.82 IKBKB (0.50) IKBKBCDK8CDK19ALDH1A1KDM4E
SCHEMBL5114160 0.77 CASP7 (0.42) IKBKBALDH1A1KDM4EMAPTHTT
SCHEMBL2771885 0.74 MAPT (0.47) ALDH1A1KDM4EGAAMAPTHTT
SCHEMBL5114616 0.74 IKBKB (0.49) IKBKBCDK8
SCHEMBL15328593 0.71 HIF1A (0.49) ALDH1A1KDM4EMAPTHTTMEN1
SCHEMBL5106374 0.71 IKBKB (0.44) IKBKBCDK8
SCHEMBL5116053 0.70 IKBKB (0.44) IKBKBCDK8CDK19
SCHEMBL4989973 0.70 HIF1A (0.65) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL2434780 0.69 KDM4E (0.45) ALDH1A1KDM4EHPGDMAPTHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
EP-1651629-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-05-03 EP disclosed
US-20050038104-A1 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-17 US disclosed
WO-2005012283-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 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-20050038104-A1 Substitute benzothiophene compounds TST, SULT1E1, LTC4S IKBKB 338/4885CDK8 1823/4885CDK19 1918/4885

“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.