SCHEMBL1694635

SCHEMBL1694635

CC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL10147642 1.00 TSHR (0.40) TSHRKDM4EALDH1A1HPGDGAA
SCHEMBL10146918 0.86 TSHR (0.57) TSHRKDM4EALDH1A1HPGD
SCHEMBL20061337 0.86 MEN1 (0.41) TSHRKDM4EALDH1A1HPGDMEN1
SCHEMBL20061339 0.86 KDM4E (0.40) KDM4EALDH1A1HPGDMEN1THRB
SCHEMBL28913545 0.81 LIPG (0.36) KDM4EALDH1A1HPGDMEN1THRB
SCHEMBL28913544 0.81 LIPG (0.36) KDM4EALDH1A1HPGDMEN1THRB
SCHEMBL1694904 0.81 MEN1 (0.40) HPGDGAAMEN1KMT2ACTSS
SCHEMBL1695324 0.81 MEN1 (0.40) HPGDGAAMEN1KMT2ACTSS
SCHEMBL10146874 0.79 MAPT (0.39) TSHRALDH1A1HPGDKMT2ACTSS
SCHEMBL1694878 0.79 MAPT (0.39) TSHRALDH1A1HPGDKMT2ACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588467-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
WO-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 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-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, BCL9 TSHR 1224/4885KDM4E 1440/4885ALDH1A1 3436/4885

“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.