SCHEMBL580834

SCHEMBL580834

COC(=O)N1CCC(C(=O)O)CC1Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
KMT2A Q03164 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CCR3 P51677 2/20 0.38
S1PR5 Q9H228 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL588023 0.91 OPRK1 (0.45) ALDH1A1KMT2AHTTSMN1; SMN2CYP3A4
SCHEMBL580852 0.89 PSEN1 (0.49) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL582130 0.88 FFAR4 (0.43) NOTUMALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL581154 0.88 CHIT1 (0.43) NOTUMTSHRPSEN1PSEN2APH1B
SCHEMBL581731 0.88 PSEN1 (0.36) NOTUMALDH1A1BRD4CREBBPPSEN1
SCHEMBL581282 0.87 TACR1 (0.46) NOTUMKMT2ACYP3A4MAPT
SCHEMBL581783 0.87 TACR1 (0.46) NOTUMKMT2ACYP3A4MAPT
SCHEMBL581527 0.87 TACR1 (0.46) NOTUMKMT2ACYP3A4MAPT
SCHEMBL581526 0.87 TACR1 (0.46) NOTUMKMT2ACYP3A4MAPT
SCHEMBL581092 0.87 ALDH1A1 (0.44) ALDH1A1BRD4CREBBPCYP3A4CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 CN disclosed
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
CN-102459246-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 CN 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 NOTUM 2559/4885ALDH1A1 2598/4885TSHR 92/4885

“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.