SCHEMBL25166774

SCHEMBL25166774

CC1(CCC(=O)O)CC(c2cc([N+](=O)[O-])c(F)cc2Cl)=NO1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.36
▸ PGR P06401 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ ESPL1 Q14674 1/20 0.32
▸ FFAR4 Q5NUL3 3/20 0.32
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ GUSB P08236 1/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GRIA2 P42262 1/20 0.30

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
SCHEMBL28363043 0.89 MAPT (0.37) PGRMAPTLMNAGUSB
SCHEMBL21635540 0.86 ESPL1 (0.37) AKR1B1PGRHSP90AA1ESPL1MAPT
SCHEMBL25166724 0.83 FFAR4 (0.35) AKR1B1FFAR4CA1CA2ITGB1
SCHEMBL22714339 0.83 MAPT (0.36) AKR1B1PGRHSP90AA1ESPL1MAPT
SCHEMBL29438153 0.83 MAPT (0.36) AKR1B1PGRHSP90AA1ESPL1MAPT
SCHEMBL22714353 0.80 CA1 (0.41) AKR1B1PGRHSP90AA1ESPL1MAPT
SCHEMBL29438166 0.80 CA1 (0.41) AKR1B1PGRHSP90AA1ESPL1MAPT
SCHEMBL21635547 0.79 MAPT (0.38) MAPTLMNACA1CA2ITGB1
SCHEMBL29438157 0.79 MAPT (0.38) MAPTLMNACA1CA2ITGB1
SCHEMBL25061603 0.77 MAPT (0.38) AKR1B1MAPTGUSBNPC1RAB9A

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-20230303545-A1 PREPARATION METHOD OF PHENYLISOXAZOLINE COMPOUND SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2023-09-28 — — US disclosed
EP-4177250-A1 PREPARATION METHOD FOR PHENYLISOXAZOLINE COMPOUND Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2023-05-10 — — EP 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-20230303545-A1 PREPARATION METHOD OF PHENYLISOXAZOLINE COMPOUND UMPS, UGT1A7, UGT2B7 AKR1B1 2305/4885PGR 3094/4885HSP90AA1 4369/4885

“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.

Send feedback