SCHEMBL3897503

SCHEMBL3897503

CCOC(=O)C1(CC)CC(c2nccc3ccccc23)=NO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 1/20 0.36
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGDS O60760 1/20 0.35
DRD3 P35462 1/20 0.35
F10 P00742 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
CDC25B P30305 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3897723 0.84 LMNA (0.41) KMT2AF10ALDH1A1HPGDKDM4E
SCHEMBL5793274 0.81 CNR2 (0.40) KMT2AMEN1PRNPRXFP1DRD3
SCHEMBL3900312 0.81 ITGB1 (0.36) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL3895014 0.79 F10 (0.36) HPGDSF10MAPT
SCHEMBL3902665 0.78 RAB9A (0.44) F10ALDH1A1HPGDKDM4EOPRD1
SCHEMBL3898381 0.77 PYGL (0.47) KMT2AMEN1F10ALDH1A1KDM4E
SCHEMBL6110145 0.77 TSHR (0.46) KMT2AMEN1PRNPRXFP1ALDH1A1
SCHEMBL3902686 0.76 KMT2A (0.46) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL5791772 0.75 CDC25B (0.50) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL3895694 0.74 JAK2 (0.41) KMT2AMEN1F10KDM4ENPC1

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-1660464-B1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2015-02-25 EP disclosed
US-7557133-B2 Caspase inhibitors containing isoxazoline ring LG LIFE SCIENCES LTD. (KR) 2009-07-07 US disclosed
EP-1660464-A4 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2008-11-26 EP disclosed
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring LG CHEM, LTD. (KR) 2006-10-05 US disclosed
EP-1660464-A1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG Life Sciences Ltd. (KR) 2006-05-31 EP disclosed
WO-2005021516-A1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD. (KR) 2005-03-10 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-20060223848-A1 Caspase inhibitors containing isoxazoline ring CASP1, CASP7, CASP2 S1PR1 3297/4885KMT2A 4075/4885MEN1 4843/4885

“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.