SCHEMBL3075286

SCHEMBL3075286

CCOC(=O)CC(=O)[C@H]1CCN(C(=O)OC)[C@H](Cc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TACR1 P25103 5/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL582055 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TACR1KMT2ATSHR
SCHEMBL581695 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TACR1KMT2ATSHR
SCHEMBL581270 0.89 PPARG (0.43) ALDH1A1SMN1; SMN2TACR1KMT2APOLB
SCHEMBL582387 0.89 PPARG (0.43) ALDH1A1SMN1; SMN2TACR1KMT2APOLB
SCHEMBL3074992 0.89 PPARG (0.43) ALDH1A1SMN1; SMN2TACR1KMT2APOLB
SCHEMBL3083072 0.88 KMT2A (0.41) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL580881 0.88 KMT2A (0.41) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL582368 0.88 KMT2A (0.41) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL581857 0.88 CYP3A4 (0.38) ALDH1A1SMN1; SMN2TACR1TSHRHTT
SCHEMBL581858 0.88 CYP3A4 (0.38) ALDH1A1SMN1; SMN2TACR1TSHRHTT

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 2598/4885SMN1; SMN2 2619/4885TACR1 474/4885

“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.