SCHEMBL580669

SCHEMBL580669

Cc1cc(C2CC(C(=O)O)CCN2C(=O)O)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.41
RORC P51449 1/20 0.34
SLC6A1 P30531 2/20 0.33
SERPINE1 P05121 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RIPK1 Q13546 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TACR1 P25103 1/20 0.32

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
SCHEMBL581075 0.89 NOTUM (0.39) NOTUM
SCHEMBL581460 0.87 KDM1A (0.46) NOTUM
SCHEMBL581657 0.80 NOTUM (0.52) NOTUMSERPINE1KDM4EALDH1A1POLB
SCHEMBL587638 0.80 MAPT (0.37) KDM4EALDH1A1
SCHEMBL581556 0.79 NOTUM (0.53) NOTUMSERPINE1KDM4EPOLB
SCHEMBL580803 0.78 NOTUM (0.42) NOTUM
SCHEMBL582066 0.78 SLC6A9 (0.40) NOTUMTSHR
SCHEMBL581040 0.78 TACR1 (0.47) NOTUMTACR1
SCHEMBL582228 0.78 PLG (0.41)
SCHEMBL581665 0.76 NOTUM (0.49) NOTUMALDH1A1RIPK1

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 2559/4885RORC 1019/4885SLC6A1 464/4885

“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.