SCHEMBL2118008

SCHEMBL2118008

OCc1cccc(-n2ncc3ccccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.47
CYP11B1 P15538 1/20 0.47
CFTR P13569 1/20 0.44
RECQL P46063 1/20 0.44
LRRK2 Q5S007 1/20 0.43
MAPK8 P45983 2/20 0.40
MAPK10 P53779 2/20 0.40
ELANE P08246 1/20 0.39
SMO Q99835 4/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HPGD P15428 1/20 0.38
KHK P50053 2/20 0.37
KMO O15229 1/20 0.37
NR3C1 P04150 2/20 0.37
PGR P06401 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL836436 0.83 CYP11B2 (0.40) CYP11B2CFTRMAPK8MAPK10SMO
SCHEMBL17441159 0.83 IRAK4 (0.49) CFTRKHKKMOIRAK4
SCHEMBL16300044 0.80 SMO (0.55) CYP11B2SMONR3C1PGR
SCHEMBL30186312 0.80 NR3C1 (0.51) CYP11B2CYP11B1LRRK2MAPK8MAPK10
SCHEMBL16634158 0.80 NR3C1 (0.51) CYP11B2CYP11B1LRRK2MAPK8MAPK10
SCHEMBL2627244 0.76 IRAK4 (0.53) CYP11B2CYP11B1LRRK2MAPK8MAPK10
SCHEMBL18289116 0.76 CYP11B2 (0.47) CYP11B2CYP11B1LRRK2MAPK8MAPK10
SCHEMBL30032844 0.76 HPGD (0.54) CYP11B2CYP11B1LRRK2MGAMGAA
SCHEMBL2548808 0.76 KHK (0.56) CYP11B2CYP11B1LRRK2MAPK8MAPK10
SCHEMBL30918020 0.76 CYP11B2 (0.54) CYP11B2CYP11B1LRRK2MAPK8MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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 (2 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 CYP11B2 1943/4885CYP11B1 1502/4885CFTR 2036/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 CYP11B2 1943/4885CYP11B1 1502/4885CFTR 2036/4885

“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.