SCHEMBL587216

SCHEMBL587216

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
USP30 Q70CQ3 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.38
NPC1 O15118 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
LMNA P02545 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) KMT2ASMN1; SMN2MEN1ALDH1A1CYP2C9
SCHEMBL582067 0.91 CYP2C9 (0.41) KMT2ACYP2C9CYP2C19MAPTUSP30
SCHEMBL587439 0.89 CYP2C9 (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1CYP2C9
SCHEMBL586709 0.89 TP53 (0.41) KMT2ASMN1; SMN2ALDH1A1OPRK1DPP4
SCHEMBL3074022 0.85 OPRK1 (0.36) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL587829 0.85 DPP4 (0.38) KMT2AMEN1ALDH1A1MAPTOPRK1
SCHEMBL587743 0.85 MAPT (0.41) KMT2AMEN1MAPT
SCHEMBL593617 0.84 MGLL (0.38) KMT2ASMN1; SMN2MEN1ALDH1A1CYP2C9
SCHEMBL3078690 0.84 MGLL (0.38) KMT2ASMN1; SMN2MEN1ALDH1A1CYP2C9
SCHEMBL581707 0.84 MGLL (0.38) KMT2ASMN1; SMN2MEN1ALDH1A1CYP2C9

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
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 KMT2A 3820/4885SMN1; SMN2 2619/4885MEN1 3757/4885

“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.