SCHEMBL597997

SCHEMBL597997

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLG P00747 8/20 0.41
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
OPRL1 P41146 4/20 0.36
GRM5 P41594 1/20 0.36
POLB P06746 1/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
P2RX7 Q99572 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL587162 1.00 PLG (0.41) PLGCYP2C9CYP2C19OPRL1GRM5
SCHEMBL581115 1.00 PLG (0.41) PLGCYP2C9CYP2C19OPRL1GRM5
SCHEMBL3069351 1.00 PLG (0.41) PLGCYP2C9CYP2C19OPRL1GRM5
SCHEMBL3079068 0.91 PLG (0.42) PLGTMEM97SIGMAR1P2RX7GABRA1
SCHEMBL581928 0.91 PLG (0.42) PLGTMEM97SIGMAR1P2RX7GABRA1
SCHEMBL587149 0.91 PLG (0.42) PLGTMEM97SIGMAR1P2RX7GABRA1
SCHEMBL581550 0.90 CYP2C9 (0.46) PLGCYP2C9CYP2C19TMEM97SIGMAR1
SCHEMBL3063454 0.90 CYP2C9 (0.46) PLGCYP2C9CYP2C19TMEM97SIGMAR1
SCHEMBL3069676 0.90 CYP2C9 (0.46) PLGCYP2C9CYP2C19TMEM97SIGMAR1
SCHEMBL3063062 0.90 CYP2C9 (0.46) PLGCYP2C9CYP2C19TMEM97SIGMAR1

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

“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.