SCHEMBL3074901

SCHEMBL3074901

CCOC(=O)CC(=O)[C@H]1CCN(C(=O)OC)[C@H](Cc2ccc(F)c(F)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 4/20 0.40
OPRK1 P41145 1/20 0.40
CHRM1 P11229 1/20 0.38
RECQL P46063 1/20 0.37
TSHR P16473 2/20 0.36
DRD4 P21917 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
DRD3 P35462 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 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
SCHEMBL582790 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EOPRK1CHRM1RECQL
SCHEMBL3076755 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EOPRK1CHRM1RECQL
SCHEMBL581848 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EOPRK1CHRM1RECQL
SCHEMBL581046 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EOPRK1CHRM1RECQL
SCHEMBL3069038 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EOPRK1CHRM1RECQL
SCHEMBL582479 0.90 EPHX2 (0.43) ALDH1A1KDM4EOPRK1MEN1KMT2A
SCHEMBL581386 0.90 EPHX2 (0.43) ALDH1A1KDM4EOPRK1MEN1KMT2A
SCHEMBL581385 0.90 EPHX2 (0.43) ALDH1A1KDM4EOPRK1MEN1KMT2A
SCHEMBL582086 0.89 PPARG (0.40) ALDH1A1KDM4ECHRM1RECQLTSHR
SCHEMBL3075705 0.89 PPARG (0.40) ALDH1A1KDM4ECHRM1RECQLTSHR

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 ALDH1A1 2598/4885KDM4E 2668/4885OPRK1 164/4885

“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.