SCHEMBL5110161

SCHEMBL5110161

CCOc1ccc(CO)c(F)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
CYP2C9 P11712 3/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
PDE10A Q9Y233 10/20 0.35
SQOR Q9Y6N5 1/20 0.35
S1PR1 P21453 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL707877 0.83 S1PR1 (0.39) CYP1A2CYP2C19S1PR1ALDH1A1MAPT
SCHEMBL5580492 0.82 KDM4E (0.42) KDM4ELMNAPDE4APDE4BPDE4C
Methoxymethane SCHEMBL28378286 0.80 S1PR1 (0.37) KDM4ECYP1A2CYP2C19PDE4APDE4B
SCHEMBL16954953 0.79 ALDH1A1 (0.42) KDM4ECYP2C9LMNACYP1A2PDE10A
SCHEMBL5109093 0.79 EPAS1 (0.35) KDM4ECYP2C9LMNACYP1A2CYP3A4
SCHEMBL9929711 0.78 MEN1 (0.42) KDM4ECYP2C9LMNACYP1A2CYP3A4
SCHEMBL5104144 0.77 TSHR (0.42) KDM4ELMNAALDH1A1HPGDALOX15
SCHEMBL2122930 0.77 CYP2C9 (0.41) KDM4ECYP2C9LMNACYP1A2CYP3A4
SCHEMBL10009328 0.77 CTSS (0.40) CYP1A2CYP2C19S1PR1ALDH1A1MAPT
SCHEMBL14277303 0.76 MAPK1 (0.41) KDM4ECYP2C9LMNACYP1A2PDE4A

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 KDM4E 2321/4885CYP2C9 282/4885LMNA 4546/4885

“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.