SCHEMBL12366124

SCHEMBL12366124

COC(=O)c1ccc2c(c1)C(c1c(F)cccc1F)=CC(C)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 4/20 0.40
IL2 P60568 2/20 0.40
MAPK14 Q16539 1/20 0.39
ALOX5 P09917 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
PYGL P06737 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PDK2 Q15119 1/20 0.37
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL12366211 0.93 IL2 (0.41) RAB9ANPC1IL2MAPK14ALOX5
SCHEMBL12366042 0.92 MAPK14 (0.44) RAB9ANPC1IL2MAPK14ALOX5
SCHEMBL12389224 0.92 PYGL (0.41) RAB9ANPC1IL2MAPK14ALOX5
SCHEMBL12366024 0.91 MAPT (0.38) RAB9ANPC1MAPK14ALOX5KMT2A
SCHEMBL12366047 0.91 MAPT (0.38) RAB9ANPC1MAPK14ALOX5KMT2A
SCHEMBL12365575 0.91 MAPT (0.38) RAB9ANPC1MAPK14ALOX5KMT2A
SCHEMBL12390007 0.90 KLKB1 (0.37) RAB9ANPC1IL2MAPK14ALOX5
SCHEMBL12366289 0.90 RAB9A (0.36) RAB9ANPC1IL2MAPK14ALOX5
SCHEMBL12366260 0.88 CYP1A2 (0.37) RAB9ANPC1ALOX5KMT2AMEN1
SCHEMBL12366136 0.88 RAB9A (0.41) RAB9ANPC1IL2MAPK14ALOX5

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
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 EP 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E RAB9A 430/4885NPC1 1519/4885IL2 3378/4885

“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.