SCHEMBL3075705

SCHEMBL3075705

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRM1 P35372 4/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 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
SCHEMBL582086 1.00 PPARG (0.40) PPARGALDH1A1NPC1RECQLMEN1
SCHEMBL3075222 1.00 PPARG (0.40) PPARGALDH1A1NPC1RECQLMEN1
SCHEMBL3085356 0.90 CACNA1G (0.38) ALDH1A1NPC1RECQLMEN1KMT2A
SCHEMBL581334 0.90 CACNA1G (0.38) ALDH1A1NPC1RECQLMEN1KMT2A
SCHEMBL581333 0.90 CACNA1G (0.38) ALDH1A1NPC1RECQLMEN1KMT2A
SCHEMBL3069164 0.90 MAPT (0.45) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL3073152 0.90 MAPT (0.45) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL3069035 0.90 CHRM1 (0.38) ALDH1A1RECQLMEN1KMT2AMAPK1
SCHEMBL3085316 0.90 CHRM1 (0.38) ALDH1A1RECQLMEN1KMT2AMAPK1
SCHEMBL582142 0.90 MAPT (0.45) ALDH1A1MEN1KMT2AKDM4EPOLB

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 2 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
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 PPARG 1628/4885ALDH1A1 2598/4885NPC1 497/4885

“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.