SCHEMBL22609314

SCHEMBL22609314

COc1ccc(CN(c2ccc(CCc3ccc(F)cc3)cc2)c2c(C)n[nH]c2C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ P2RX3 P56373 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ SLC2A4 P14672 2/20 0.38
▸ SLC2A8 Q9NY64 1/20 0.38
▸ CNR2 P34972 2/20 0.37
▸ BCHE P06276 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CNR1 P21554 1/20 0.37

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
SCHEMBL23486291 0.84 LMNA (0.44) TAS2R14ALDH1A1LMNANPSR1P2RX3
SCHEMBL23453740 0.77 TAS2R14 (0.39) TAS2R14ALDH1A1LMNA
SCHEMBL8061283 0.70 ESR1 (0.54) TAS2R14ALDH1A1LMNAHPGDCNR2
SCHEMBL15491999 0.69 ESR2 (0.76) TAS2R14ALDH1A1LMNANPSR1CNR2
SCHEMBL22609343 0.67 P4HTM (0.40) ALDH1A1LMNADHODHGAA
SCHEMBL7474018 0.66 KDM4E (0.60) ALDH1A1FPR2
SCHEMBL23453730 0.66 NPC1 (0.46) ALDH1A1LMNANPSR1HPGDTP53
SCHEMBL24788001 0.66 TAS2R14 (0.55) TAS2R14
SCHEMBL23453736 0.66 POLB (0.44) ALDH1A1LMNANPSR1
SCHEMBL1149498 0.64 HCAR2 (0.61) P2RX3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 — — US disclosed
US-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 — — US disclosed
EP-3731840-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF Orfan Biotech Inc. (US) 2020-11-04 — — 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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF PNPO, XDH, GLS TAS2R14 1977/4885ALDH1A1 149/4885LMNA 3881/4885

“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.

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