SCHEMBL807981

SCHEMBL807981

O=C1c2c(sc3ccc(F)cc23)CCN1c1cnccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 8/20 0.39
CYP3A4 P08684 4/20 0.39
CYP11B2 P19099 2/20 0.35
P2RX7 Q99572 2/20 0.34
OPRM1 P35372 2/20 0.34
KCNH2 Q12809 2/20 0.34
SIGMAR1 Q99720 2/20 0.34

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
SCHEMBL15466957 0.87 OPRM1 (0.38) CYP17A1CYP3A4CYP11B2OPRM1KCNH2
SCHEMBL798823 0.86 CYP17A1 (0.52) CYP17A1CYP3A4P2RX7
SCHEMBL807790 0.76 CYP11B2 (0.44) CYP11B2P2RX7
SCHEMBL793597 0.72 CYP11B2 (0.38) CYP17A1CYP11B2OPRM1KCNH2SIGMAR1
SCHEMBL794339 0.70 CYP17A1 (0.37) CYP17A1CYP3A4
SCHEMBL15465685 0.70 CYP17A1 (0.52) CYP17A1CYP3A4P2RX7
SCHEMBL15471806 0.70 OPRM1 (0.36) CYP17A1CYP11B2P2RX7OPRM1KCNH2
SCHEMBL10286787 0.68 CYP17A1 (0.53) CYP17A1
SCHEMBL798005 0.68 CYP11B2 (0.45) CYP17A1CYP11B2OPRM1KCNH2SIGMAR1
SCHEMBL15465406 0.67 CYP11B2 (0.44) CYP11B2OPRM1KCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 CYP17A1 1/4885CYP3A4 151/4885CYP11B2 30/4885

“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.