SCHEMBL798145

SCHEMBL798145

Cc1ccncc1N1CCc2cc(OS(=O)(=O)C(F)(F)F)c(Cl)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.41
CYP11B1 P15538 6/20 0.41
HTR2C P28335 6/20 0.38
CYP1A2 P05177 3/20 0.38
HTR2B P41595 4/20 0.35
DRD2 P14416 2/20 0.35
P2RX7 Q99572 1/20 0.34
HTR2A P28223 4/20 0.34
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
CCR9 P51686 1/20 0.33

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
SCHEMBL793620 0.87 CYP17A1 (0.44) CYP11B2CYP11B1
SCHEMBL794032 0.84 CYP11B2 (0.44) CYP11B2CYP11B1HTR2CCYP1A2HTR2B
SCHEMBL15467173 0.82 CYP11B2 (0.52) CYP11B2CYP11B1HTR2CHTR2BP2RX7
SCHEMBL15471852 0.81 CYP11B2 (0.46) CYP11B2CYP11B1HTR2CCYP1A2HTR2B
SCHEMBL807910 0.80 CYP11B2 (0.59) CYP11B2CYP11B1HTR2CHTR2BP2RX7
SCHEMBL793750 0.78 CYP11B2 (0.46) CYP11B2CYP11B1HTR2CHTR2BP2RX7
SCHEMBL807794 0.78 KMT2A (0.51) CYP11B2CYP11B1HTR2CCYP1A2HTR2B
SCHEMBL798105 0.75 CYP11B2 (0.43) CYP11B2CYP11B1HTR2CCYP1A2HTR2B
SCHEMBL15471847 0.75 CYP11B2 (0.43) CYP11B2CYP11B1HTR2CHTR2BP2RX7
SCHEMBL12467032 0.75 CYP11B2 (0.52) CYP11B2CYP11B1P2RX7PTGS2

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-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
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP 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 CYP11B2 30/4885CYP11B1 18/4885HTR2C 2446/4885

“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.