SCHEMBL2157307

SCHEMBL2157307

COC(=O)c1cc2c(s1)c(C1CCCCC1)c1n2CC(O)Cc2ccccc2-1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.37
ATM Q13315 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PRKCA P17252 1/20 0.32
MMP12 P39900 1/20 0.32
MAPT P10636 2/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL2156745 0.85 PRKCA (0.44) ALDH1A1HPGDKDM4EL3MBTL1MAPK1
SCHEMBL2157106 0.82 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EL3MBTL1MAPK1
SCHEMBL3565283 0.80 PRKCA (0.46) ALDH1A1HPGDKDM4EATMPRKCA
SCHEMBL2156261 0.79 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EL3MBTL1MAPK1
SCHEMBL13476298 0.78 HPGD (0.35) ALDH1A1HPGDKDM4EL3MBTL1MAPK1
SCHEMBL2156262 0.78 KDM4E (0.46) ALDH1A1HPGDKDM4EL3MBTL1MAPK1
SCHEMBL2156390 0.77 CDK1 (0.35) ALDH1A1HPGDKDM4EL3MBTL1MAPK1
SCHEMBL2156364 0.76 KDM4E (0.36) ALDH1A1KDM4EL3MBTL1MAPK1GAA
SCHEMBL4388398 0.75 PRKCA (0.48) ALDH1A1HPGDKDM4EL3MBTL1MAPK1
SCHEMBL4382196 0.75 NOTUM (0.42) ALDH1A1HPGDKDM4ENOTUMMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973026-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-05 US disclosed
US-20090105227-A1 Thienopyrroles As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-04-23 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-20090105227-A1 Thienopyrroles As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L ALDH1A1 433/4885HPGD 1422/4885KDM4E 3275/4885

“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.