SCHEMBL3069676

SCHEMBL3069676

COC(=O)N1CC[C@@H](c2cc(=O)[nH]o2)C[C@@H]1c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLG P00747 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A3 Q01959 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 1/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 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
SCHEMBL3063062 1.00 CYP2C9 (0.46) CYP2C9CYP2C19PLGSMN1; SMN2ALDH1A1
SCHEMBL581550 1.00 CYP2C9 (0.46) CYP2C9CYP2C19PLGSMN1; SMN2ALDH1A1
SCHEMBL3063454 1.00 CYP2C9 (0.46) CYP2C9CYP2C19PLGSMN1; SMN2ALDH1A1
SCHEMBL582182 0.92 PLG (0.41) CYP2C9CYP2C19PLGALDH1A1TMEM97
SCHEMBL581432 0.92 PLG (0.41) CYP2C9CYP2C19PLGALDH1A1TMEM97
SCHEMBL581433 0.92 PLG (0.41) CYP2C9CYP2C19PLGALDH1A1TMEM97
SCHEMBL581495 0.92 PLG (0.41) CYP2C9CYP2C19PLGALDH1A1TMEM97
SCHEMBL3069351 0.90 PLG (0.41) CYP2C9CYP2C19PLGTMEM97SIGMAR1
SCHEMBL581115 0.90 PLG (0.41) CYP2C9CYP2C19PLGTMEM97SIGMAR1
SCHEMBL597997 0.90 PLG (0.41) CYP2C9CYP2C19PLGTMEM97SIGMAR1

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 2 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
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 CYP2C9 472/4885CYP2C19 966/4885PLG 4861/4885

“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.