SCHEMBL16799006

SCHEMBL16799006

COC(=O)Oc1cnc(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.52
CSNK2A2 P19784 3/20 0.51
CSNK2B P67870 3/20 0.51
CSNK2A1 P68400 3/20 0.51
RAB9A P51151 3/20 0.45
MAPT P10636 3/20 0.44
CYP1A2 P05177 2/20 0.44
HDAC1 Q13547 1/20 0.44
SLC6A3 Q01959 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 5/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 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
SCHEMBL27727745 0.79 XDH (0.51) XDHCSNK2A2CSNK2BCSNK2A1RAB9A
SCHEMBL27935663 0.72 XDH (0.56) XDHCSNK2A2CSNK2BCSNK2A1RAB9A
Hydrochloric Acid SCHEMBL28424163 0.71 XDH (0.55) XDHCSNK2A2CSNK2BCSNK2A1RAB9A
SCHEMBL877605 0.71 XDH (0.51) XDHCSNK2A2CSNK2BCSNK2A1RAB9A
SCHEMBL2822552 0.71 CDC7 (0.68) XDHCSNK2A2CSNK2BCSNK2A1RAB9A
SCHEMBL84030 0.71 GAA (0.62) RAB9AMAPTGAAALDH1A1LMNA
SCHEMBL874462 0.71 CDC7 (0.48) XDHCSNK2A2CSNK2BCSNK2A1RAB9A
SCHEMBL20641472 0.70 XDH (0.68) XDHCSNK2A2CSNK2BCSNK2A1RAB9A
SCHEMBL20379759 0.70 XDH (0.76) XDHRAB9AMAPTGAAKDM4E
SCHEMBL26759059 0.70 XDH (0.56) XDHCSNK2A2CSNK2BCSNK2A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077373-B1 PREPARATION OF COBICISTAT INTERMEDIATES MYLAN LABORATORIES LTD (IN) 2018-09-12 EP disclosed
US-9975864-B2 Preparation of cobicistat intermediates MYLAN LABORATORIES LIMITED (IN) 2018-05-22 US disclosed
US-20160297780-A1 Preparation of Cobicistat Intermediates Mylan Laboratories Ltd. (IN) 2016-10-13 US disclosed
EP-3077373-A1 PREPARATION OF COBICISTAT INTERMEDIATES Mylan Laboratories Ltd. (IN) 2016-10-12 EP disclosed
WO-2015083066-A1 PREPARATION OF COBICISTAT INTERMEDIATES Mylan Laboratories Ltd. (IN) 2015-06-11 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-20160297780-A1 Preparation of Cobicistat Intermediates PARP8, PARP9, PRSS8 XDH 1143/4885CSNK2A2 361/4885CSNK2B 548/4885

“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.