SCHEMBL5372641

SCHEMBL5372641

COc1ccc(Cc2c(C)cc(OC)[nH]c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 0.53
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ PTPN5 P54829 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ PDE10A Q9Y233 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ IDH1 O75874 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL5377402 0.87 ERAP1 (0.55) ERAP1PTGS1PTGS2POLBPTPN5
SCHEMBL5377375 0.73 SMN1; SMN2 (0.56) ERAP1POLBLMNAMAPTHTT
SCHEMBL2254318 0.72 ERAP1 (0.51) ERAP1PTGS1PTGS2POLBPTPN5
SCHEMBL10966990 0.71 LTA4H (0.57) ERAP1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5373132 0.69 SMN1; SMN2 (0.50) LMNAMAPTHTTMAPK1SMN1; SMN2
SCHEMBL9718488 0.69 LTA4H (0.53) ERAP1PTGS1PTGS2PTPN5LMNA
SCHEMBL15455608 0.68 LTA4H (0.57) ERAP1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL16049872 0.68 ERAP1 (0.50) ERAP1PTGS1PTGS2POLBLMNA
SCHEMBL20777399 0.68 GAA (0.51) ERAP1POLBPTPN5MEN1KMT2A
SCHEMBL3998037 0.68 IDH1 (0.48) ERAP1LMNASMN1; SMN2NPSR1IDH1

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-7271153-B2 Treating diseases associated with hyperglycemia such as diabetes; SGLT2 (sodium/glucose cotransporter 2) inhibitor; 3-(4-Ethylbenzyl)-2-(beta-D-glucopyranosyloxy)-4,6-dimethyl-pyridine for example KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-09-18 — — US disclosed
US-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-03-03 — — US disclosed
EP-1405859-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-04-07 — — 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-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor GPR119, NPR3, SLC5A2 ERAP1 1512/4885PTGS1 768/4885PTGS2 895/4885

“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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