SCHEMBL599010

SCHEMBL599010

CCOC(=O)CC(=O)[C@@H]1CCN(C(=O)OC)[C@H](c2ccc(C(F)(F)F)cc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TACR1 P25103 5/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CETP P11597 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNN4 O15554 1/20 0.35
MGLL Q99685 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX2 P34913 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 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
SCHEMBL581169 1.00 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1TACR1USP2
SCHEMBL581644 1.00 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1TACR1USP2
SCHEMBL582517 0.93 TACR1 (0.42) CYP11B1CYP11B2ALDH1A1TACR1USP2
SCHEMBL582518 0.93 TACR1 (0.42) CYP11B1CYP11B2ALDH1A1TACR1USP2
SCHEMBL580911 0.89 TACR1 (0.40) ALDH1A1TACR1USP2LMNAMAPK1
SCHEMBL582016 0.89 ALDH1A1 (0.44) ALDH1A1TACR1USP2LMNAHTT
SCHEMBL581963 0.89 ALDH1A1 (0.44) ALDH1A1TACR1USP2LMNAHTT
SCHEMBL582008 0.88 POLB (0.42) ALDH1A1LMNATMEM97SIGMAR1SMN1; SMN2
SCHEMBL582009 0.88 POLB (0.42) ALDH1A1LMNATMEM97SIGMAR1SMN1; SMN2
SCHEMBL582329 0.88 POLB (0.42) ALDH1A1LMNATMEM97SIGMAR1SMN1; SMN2

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
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO 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 CYP11B1 582/4885CYP11B2 434/4885ALDH1A1 2598/4885

“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.