SCHEMBL5110105

SCHEMBL5110105

COc1ccc(C(=O)O)c(F)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
NOTUM Q6P988 1/20 0.41
CDC25B P30305 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
FABP4 P15090 1/20 0.39
MYC P01106 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL5104144 0.83 TSHR (0.42) LMNAALDH1A1HTTKDM4EHPGD
SCHEMBL310023 0.82 MAPT (0.47) MAPTTDP1LMNAALDH1A1HTT
SCHEMBL1961466 0.79 MAPT (0.55) MAPTTDP1LMNAALDH1A1HTT
SCHEMBL2080480 0.78 CES2 (0.41) NOTUMKDM4ESLC22A12
SCHEMBL14784876 0.77 LMNA (0.46) MAPTTDP1LMNAALDH1A1HTT
SCHEMBL27480737 0.77 FABP3 (0.50) MAPTTDP1LMNAALDH1A1HTT
SCHEMBL5116508 0.77 FABP4 (0.38) FABP4
SCHEMBL5106373 0.77 NPC1 (0.51) TDP1LMNAALDH1A1HTTRAB9A
SCHEMBL17201067 0.76 MAPT (0.66) MAPTTDP1LMNAALDH1A1HTT
SCHEMBL1766176 0.76 MAPT (0.66) MAPTTDP1LMNAALDH1A1HTT

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 MAPT 2565/4885TDP1 1487/4885LMNA 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.