SCHEMBL4929577

SCHEMBL4929577

O=C1COCC(Cc2ccc(Oc3ccc(C=C4SC(=O)NC4=O)cc3C(F)(F)F)cc2)N1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ESRRA P11474 11/20 0.48
CYP3A4 P08684 2/20 0.47
ESRRB O95718 1/20 0.46
ESR1 P03372 1/20 0.46
ESRRG P62508 1/20 0.46
ESR2 Q92731 1/20 0.46
PTPN1 P18031 4/20 0.44
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
FOXM1 Q08050 1/20 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
SCHEMBL4936377 1.00 HPGD (0.49) HPGDESRRACYP3A4ESRRBESR1
SCHEMBL4932886 0.93 ADAMTS5 (0.46) HPGDESRRA
SCHEMBL4932880 0.93 ADAMTS5 (0.46) HPGDESRRA
SCHEMBL4935151 0.89 HPGD (0.47) HPGDESRRAPTPN1PIM1PIM2
SCHEMBL8252480 0.89 HPGD (0.47) HPGDESRRAPTPN1PIM1PIM2
SCHEMBL4935145 0.89 HPGD (0.47) HPGDESRRAPTPN1PIM1PIM2
SCHEMBL13053912 0.88 HPGD (0.51) HPGDESRRACYP3A4ESRRBESR1
SCHEMBL4933200 0.87 HPGD (0.49) HPGD
SCHEMBL8252684 0.87 HPGD (0.49) HPGD
SCHEMBL4933204 0.87 HPGD (0.49) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080267888-A1 Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-10-30 US claimed
WO-2006126074-A2 HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2006-11-30 WO claimed
US-20080267888-A1 Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-10-30 US disclosed
WO-2006126074-A2 HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2006-11-30 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-20080267888-A1 Heterocyclic Derivatives CYP11B2, MAPT, UGT1A1 HPGD 593/4885ESRRA 2486/4885CYP3A4 15/4885

“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.