SCHEMBL3761607

SCHEMBL3761607

CN1C(=O)OCC1Cc1ccc(Oc2ccc(C=C3SC(=O)NC3=O)cc2C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
ESRRA P11474 13/20 0.49
CYP3A4 P08684 2/20 0.48
ESRRB O95718 1/20 0.47
ESR1 P03372 1/20 0.47
ESRRG P62508 1/20 0.47
ESR2 Q92731 1/20 0.47
PTPN1 P18031 3/20 0.44
FOXM1 Q08050 1/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 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
SCHEMBL3761605 1.00 HPGD (0.50) HPGDESRRACYP3A4ESRRBESR1
SCHEMBL12997354 0.93 ADAMTS5 (0.46) HPGDESRRA
SCHEMBL3762231 0.90 ESRRA (0.50) HPGDESRRACYP3A4ESRRBESR1
SCHEMBL3762233 0.90 ESRRA (0.50) HPGDESRRACYP3A4ESRRBESR1
SCHEMBL3758581 0.89 HPGD (0.46) HPGDESRRAPTPN1PIM1PIM2
SCHEMBL3758583 0.89 HPGD (0.46) HPGDESRRAPTPN1PIM1PIM2
SCHEMBL3754090 0.87 HPGD (0.50) HPGD
SCHEMBL3754087 0.87 HPGD (0.50) HPGD
SCHEMBL3758497 0.87 ESRRA (0.58) HPGDESRRACYP3A4PIM1PIM2
SCHEMBL3758500 0.87 ESRRA (0.58) HPGDESRRACYP3A4PIM1PIM2

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-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 US claimed
US-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 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-20100305174-A1 Novel Heterocyclic Derivatives UGT1A1, CYP3A4, CYP3A43 HPGD 228/4885ESRRA 3987/4885CYP3A4 2/4885

“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.