SCHEMBL20022331

SCHEMBL20022331

Cc1cc2sc(C(=O)O)cc2c(F)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
PLK4 O00444 2/20 0.41
AURKA O14965 2/20 0.41
DAPK3 O43293 2/20 0.41
CHEK2 O96017 2/20 0.41
CDK1 P06493 2/20 0.41
PIM1 P11309 2/20 0.41
CDK2 P24941 2/20 0.41
MAPK9 P45984 2/20 0.41
CSNK1D P48730 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
CSNK2A1 P68400 2/20 0.41
DYRK1A Q13627 2/20 0.41
AURKB Q96GD4 2/20 0.41

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
SCHEMBL30849844 0.81 KDM4E (0.43) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL25675331 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18889225 0.74 KDM4E (0.50) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL26949623 0.72 STING1 (0.54) STING1GPR35LMNAPKM
SCHEMBL30682860 0.72 STING1 (0.54) STING1GPR35LMNAPKM
SCHEMBL7433969 0.72 STING1 (0.72) KDM4EALDH1A1ICAM1SELESTING1
SCHEMBL20022327 0.72 STING1 (0.56) KMT2ASTING1
SCHEMBL24721595 0.71 PLK4 (0.59) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL25274256 0.71 STING1 (0.53) STING1
SCHEMBL10221595 0.69 GPR35 (0.63) DAOKDM4EMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-05 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-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS DAO 2315/4885KDM4E 2935/4885MAPT 4815/4885

“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.