SCHEMBL2599758

SCHEMBL2599758

CC(C)n1cc(C=O)c2cccc(C3CC3)c21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
PIM1 P11309 7/20 0.36
PIM3 Q86V86 7/20 0.36
ALDH1A1 P00352 1/20 0.36
IMPDH2 P12268 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PDK2 Q15119 5/20 0.34
PDK4 Q16654 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDK1 Q15118 1/20 0.32
MITF O75030 1/20 0.31
USP2 O75604 1/20 0.31
RAB9A P51151 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
DRD2 P14416 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL2599763 0.79 SSTR5 (0.39) ALDH1A1MEN1KMT2AMITFUSP2
SCHEMBL2599738 0.78 PARP1 (0.37) PARP1PIM1PIM3ALDH1A1IMPDH2
SCHEMBL2599821 0.77 TRIM24 (0.42) PARP1PIM1PIM3ALDH1A1IMPDH2
SCHEMBL14689705 0.76 ALDH1A1 (0.40) PARP1PIM1PIM3ALDH1A1IMPDH2
SCHEMBL2599810 0.76 ALDH1A1 (0.40) PARP1PIM1PIM3ALDH1A1IMPDH2
SCHEMBL2599851 0.70 ALDH1A1 (0.36) PIM1PIM3ALDH1A1PIM2
SCHEMBL1871346 0.70 ALDH1A1 (0.61) ALDH1A1IMPDH2MEN1KMT2AMITF
SCHEMBL21756097 0.66 MEN1 (0.39) ALDH1A1IMPDH2PDK2PDK4MEN1
SCHEMBL24117841 0.66 MEN1 (0.40) PARP1ALDH1A1MEN1KMT2AMITF
SCHEMBL548147 0.65 LMNA (0.52) ALDH1A1PDK2PDK4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 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-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 PARP1 3607/4885PIM1 3849/4885PIM3 3857/4885

“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.