SCHEMBL3074022

SCHEMBL3074022

COC(=O)C1CCN(C(=O)OC)C(c2cc(F)c(F)cc2F)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP1 P03956 2/20 0.34
ADAM17 P78536 2/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL587099 0.95 ALDH1A1 (0.34) OPRK1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL581895 0.90 NOTUM (0.33) OPRK1NPSR1DPP4DPP8DPP9
SCHEMBL586709 0.87 TP53 (0.41) OPRK1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL587216 0.85 KMT2A (0.41) OPRK1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL587743 0.83 MAPT (0.41) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL587829 0.83 DPP4 (0.38) OPRK1MEN1KMT2ATP53ALDH1A1
SCHEMBL586638 0.83 DPP4 (0.39) OPRK1ALDH1A1MMP1ADAM17DPP4
SCHEMBL587299 0.82 DPP4 (0.36) OPRK1MEN1KMT2ATP53ALDH1A1
SCHEMBL3069384 0.82 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL580854 0.82 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1

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 OPRK1 164/4885MEN1 3757/4885KMT2A 3820/4885

“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.