SCHEMBL582014

SCHEMBL582014

O=C(O)C1CCN(C(=O)O)C(c2ccc(Cl)cc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.43
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.39
MGLL Q99685 2/20 0.39
EPHX2 P34913 1/20 0.38
AKR1C3 P42330 1/20 0.37
OPRL1 P41146 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
DPP4 P27487 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
HSD11B1 P28845 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
SCHEMBL582067 0.87 CYP2C9 (0.41) NOTUMMAPTKMT2AEPHX2OPRL1
SCHEMBL581096 0.87 NOTUM (0.51) NOTUMMAPTKMT2AEPHX2DPP4
SCHEMBL3086468 0.87 NOTUM (0.42) NOTUMDPP4HSD11B1
SCHEMBL587087 0.84 KMT2A (0.39) NOTUMMAPTKMT2AEPHX2OPRL1
SCHEMBL582163 0.83 NOTUM (0.46) NOTUMKMT2AHSD11B1
SCHEMBL3075498 0.83 NOTUM (0.37) NOTUMDPP4
SCHEMBL586549 0.82 FFAR2 (0.41) NOTUMEPHX2HSD11B1
SCHEMBL28480219 0.82 PROKR1 (0.43) KMT2AOPRL1PROKR1HSD11B1
SCHEMBL586675 0.80 FFAR4 (0.50) NOTUMMGLLDPP4HSD11B1
SCHEMBL3072715 0.79 NOTUM (0.49) NOTUMMAPTKMT2AMGLLAKR1C3

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 NOTUM 2559/4885MAPT 4513/4885KMT2A 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.