SCHEMBL581040

SCHEMBL581040

Cc1cc(C(F)(F)F)ccc1C1CC(C(=O)O)CCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.47
NOTUM Q6P988 2/20 0.46
CYP3A4 P08684 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
IDH2 P48735 1/20 0.40

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
SCHEMBL581119 0.89 NOTUM (0.43) TACR1NOTUMCYP3A4SIGMAR1IDH2
SCHEMBL582163 0.88 NOTUM (0.46) TACR1NOTUMFFAR4IDH2
SCHEMBL587057 0.85 TACR1 (0.40) TACR1NOTUMIDH2
SCHEMBL581556 0.82 NOTUM (0.53) NOTUMIDH2
SCHEMBL581657 0.81 NOTUM (0.52) NOTUM
SCHEMBL580911 0.80 TACR1 (0.40) TACR1NOTUMSIGMAR1
SCHEMBL586480 0.80 TACR1 (0.42) TACR1CYP3A4SIGMAR1
SCHEMBL580684 0.79 NOTUM (0.42) TACR1NOTUMSIGMAR1IDH2
SCHEMBL580669 0.78 NOTUM (0.41) TACR1NOTUM
SCHEMBL581696 0.77 PLG (0.42) TACR1SIGMAR1

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 TACR1 474/4885NOTUM 2559/4885CYP3A4 21/4885

“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.