SCHEMBL582067

SCHEMBL582067

COC(=O)N1CCC(C(=O)O)CC1c1ccc(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
USP30 Q70CQ3 3/20 0.40
NOTUM Q6P988 4/20 0.39
OPRL1 P41146 1/20 0.38
MAPT P10636 2/20 0.37
EPHX2 P34913 1/20 0.37
NPC1 O15118 1/20 0.37
CHRM3 P20309 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35

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
SCHEMBL587087 0.96 KMT2A (0.39) CYP2C9CYP2C19KMT2AUSP30NOTUM
SCHEMBL587216 0.91 KMT2A (0.41) CYP2C9CYP2C19KMT2AUSP30OPRL1
SCHEMBL580828 0.89 CYP2C9 (0.50) CYP2C9CYP2C19KMT2ANOTUMEPHX2
SCHEMBL581326 0.89 TP53 (0.41) KMT2ANOTUMCHRM3
SCHEMBL582014 0.87 NOTUM (0.43) KMT2ANOTUMOPRL1MAPTEPHX2
SCHEMBL581895 0.85 NOTUM (0.33) NOTUM
SCHEMBL580684 0.85 NOTUM (0.42) KMT2ANOTUMMAPT
SCHEMBL587829 0.85 DPP4 (0.38) KMT2ANOTUMMAPT
SCHEMBL580928 0.84 CYP2C19 (0.39) CYP2C9CYP2C19KMT2ANOTUMOPRL1
SCHEMBL3078690 0.84 MGLL (0.38) CYP2C9CYP2C19KMT2AMAPT

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 5 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
CN-102459246-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 CN 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 CYP2C9 472/4885CYP2C19 966/4885KMT2A 3820/4885

“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.