SCHEMBL16368697

SCHEMBL16368697

O=C(c1ccc2c(c1)OCCc1cc(C(=O)C(Br)Br)sc1-2)C(Br)Br

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
PIK3CA P42336 19/20 0.50
PIK3CB P42338 11/20 0.48
PIK3CD O00329 2/20 0.46
PIK3CG P48736 2/20 0.46
MTOR P42345 1/20 0.46
PRKDC P78527 1/20 0.46

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
SCHEMBL16368696 0.88 ALDH1A1 (0.51) NOTUMPIK3CA
SCHEMBL16368693 0.82 KDM4E (0.47) NOTUM
SCHEMBL15188514 0.79 NOTUM (0.56) NOTUMPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL15188503 0.79 NOTUM (0.53) NOTUMPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL15188504 0.75 RAB9A (0.42)
SCHEMBL15188517 0.75 NPC1 (0.45)
SCHEMBL989599 0.74 NOTUM (0.67) NOTUMPIK3CAPIK3CB
SCHEMBL989483 0.74 NOTUM (0.70) NOTUMPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL991030 0.74 NOTUM (0.56) NOTUMPIK3CAPIK3CB
SCHEMBL4235720 0.73 NOTUM (0.55) NOTUMPIK3CAPIK3CBPIK3CDPIK3CG

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-9073942-B2 Antiviral compounds with a heterotricycle moiety LUPIN LIMITED (IN) 2015-07-07 US disclosed
US-9073942-B2 Antiviral compounds with a heterotricycle moiety LUPIN LIMITED (IN) 2015-07-07 US disclosed
US-20150010504-A1 Antiviral Compounds with a Heterotricycle Moiety LUPIN LIMITED (IN) 2015-01-08 US disclosed
US-20150010504-A1 Antiviral Compounds with a Heterotricycle Moiety LUPIN LIMITED (IN) 2015-01-08 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-20150010504-A1 Antiviral Compounds with a Heterotricycle Moiety HCCS, UQCRB, HAVCR2 NOTUM 3574/4885PIK3CA 3024/4885PIK3CB 2224/4885

“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.