SCHEMBL581869

SCHEMBL581869

O=C(O)C1CCN(C(=O)O)C(Cc2ccc(Cl)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.46
MAPT P10636 2/20 0.46
TACR1 P25103 4/20 0.42
AKR1C3 P42330 1/20 0.42
S1PR5 Q9H228 1/20 0.42
CHIT1 Q13231 1/20 0.41
DPP4 P27487 1/20 0.41
CCR5 P51681 1/20 0.39
TSHR P16473 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
SCHEMBL6952343 0.87 L3MBTL1 (0.49) NOTUMTACR1
SCHEMBL580893 0.86 NOTUM (0.46) NOTUMS1PR5TSHR
SCHEMBL581154 0.86 CHIT1 (0.43) NOTUMMAPTTACR1S1PR5CHIT1
SCHEMBL18577229 0.85 OPRK1 (0.45) TACR1CHIT1DPP4
SCHEMBL18577327 0.85 OPRK1 (0.45) TACR1CHIT1DPP4
SCHEMBL581462 0.83 NOTUM (0.49) NOTUMTACR1DPP4
SCHEMBL582219 0.83 ALDH1A1 (0.43) NOTUMTACR1DPP4TSHR
SCHEMBL581631 0.82 ALDH1A1 (0.46) CCR5
SCHEMBL5347407 0.82 ALDH1A1 (0.43) TACR1DPP4
SCHEMBL206989 0.81 TACR1 (0.46) TACR1TSHR

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 NOTUM 2559/4885MAPT 4513/4885TACR1 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.