SCHEMBL5107243

SCHEMBL5107243

COc1ccc2c(-c3ccc(COC(=O)CCC(=O)O)o3)nn(-c3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.53
PTGER1 P34995 1/20 0.41
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
SSTR5 P35346 1/20 0.38
POLB P06746 1/20 0.37
DYRK1A Q13627 1/20 0.36
KMO O15229 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36

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
SCHEMBL5118969 0.88 PDE5A (0.71) PDE5AKDM4EALDH1A1MAPTPKM
SCHEMBL5110749 0.83 PDE5A (0.74) PDE5APTGER1CASP3KMT2ASENP8
SCHEMBL5118966 0.82 PDE5A (0.61) PDE5AKDM4EALDH1A1MAPTNPC1
SCHEMBL5105687 0.81 PDE5A (0.55) PDE5AKDM4EALDH1A1MAPTPKM
SCHEMBL5104788 0.77 PDE5A (0.72) PDE5ATDP1KDM4EALDH1A1MAPT
SCHEMBL3081769 0.76 PDE5A (0.76) PDE5AKDM4EALDH1A1MAPTNPC1
SCHEMBL5110534 0.76 PDE5A (0.67) PDE5AKMT2AKDM4EALDH1A1MAPT
SCHEMBL5138807 0.75 PDE5A (0.70) PDE5AKDM4EALDH1A1MAPTNPC1
SCHEMBL5140293 0.73 PDE5A (0.60) PDE5AKMT2AKDM4EALDH1A1MAPT
SCHEMBL16267521 0.72 PDE5A (0.71) PDE5AKMT2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378532-B2 Fused pyrazolyl compound YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2008-05-27 US claimed
EP-1586572-A1 Fused pyrazolyls as anti-cancer drugs Yung Shin Pharm. Ind. Co. Ltd. (TW) 2005-10-19 EP claimed
US-20050215612-A1 Novel fused pyrazolyl compound YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2005-09-29 US claimed
US-7378532-B2 Fused pyrazolyl compound YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2008-05-27 US disclosed
EP-1586572-A1 Fused pyrazolyls as anti-cancer drugs Yung Shin Pharm. Ind. Co. Ltd. (TW) 2005-10-19 EP disclosed
US-20050215612-A1 Novel fused pyrazolyl compound YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2005-09-29 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-20050215612-A1 Novel fused pyrazolyl compound AR, ARL1, NR5A2 PDE5A 2742/4885PTGER1 221/4885CASP3 2918/4885

“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.