SCHEMBL580928

SCHEMBL580928

COC(=O)N1CCC(C(=O)O)CC1c1ccc(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
OPRL1 P41146 2/20 0.38
HSD11B1 P28845 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NOTUM Q6P988 2/20 0.36
P2RX7 Q99572 1/20 0.36
EPHX2 P34913 1/20 0.36
GRM5 P41594 1/20 0.36
FFAR2 O15552 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
SCHEMBL580828 0.89 CYP2C9 (0.50) CYP2C19CYP2C9KMT2ASMN1; SMN2NOTUM
SCHEMBL581326 0.89 TP53 (0.41) POLBKMT2ASMN1; SMN2NOTUMP2RX7
SCHEMBL586549 0.87 FFAR2 (0.41) CYP2C19CYP2D6PKMHSD11B1NOTUM
SCHEMBL587829 0.85 DPP4 (0.38) HSD11B1MAPTKMT2ANOTUMP2RX7
SCHEMBL582067 0.84 CYP2C9 (0.41) CYP2C19CYP2C9OPRL1MAPTKMT2A
SCHEMBL581183 0.84 TLR4 (0.40) CYP2C19CYP2D6PKMOPRL1POLB
SCHEMBL581784 0.81 NOTUM (0.44) CYP2C19CYP2D6PKMHSD11B1KMT2A
SCHEMBL587087 0.81 KMT2A (0.39) CYP2C19CYP2C9OPRL1MAPTKMT2A
Hydrochloric Acid SCHEMBL580915 0.80 OPRK1 (0.35) CYP2C19CYP2D6PKMOPRL1HSD11B1
SCHEMBL581895 0.80 NOTUM (0.33) NOTUM

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 CYP2C19 966/4885CYP2C9 472/4885CYP2D6 78/4885

“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.