SCHEMBL582515

SCHEMBL582515

CCOC(=O)CC(=O)[C@H]1CCN(C(=O)OC)[C@H](Cc2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ USP2 O75604 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL582047 1.00 MEN1 (0.42) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL3073122 1.00 MEN1 (0.42) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL581270 0.91 PPARG (0.43) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL582387 0.91 PPARG (0.43) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3074992 0.91 PPARG (0.43) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3087575 0.90 MEN1 (0.36) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL581268 0.90 MEN1 (0.36) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL581269 0.90 MEN1 (0.36) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3069164 0.88 MAPT (0.45) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL582142 0.88 MAPT (0.45) MEN1KMT2AMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 — — US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 — — EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 — — WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 — — 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 (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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 MEN1 3757/4885KMT2A 3820/4885SMN1; SMN2 2619/4885

“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.

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