SCHEMBL3590309

SCHEMBL3590309

N#Cc1c(-c2ccoc2)cc(-c2nccs2)nc1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 2/20 0.44
▸ SYK P43405 1/20 0.38
▸ ACMSD Q8TDX5 1/20 0.38
▸ HPGD P15428 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PIM1 P11309 3/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ KDM2B Q8NHM5 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ XDH P47989 3/20 0.34
▸ FFAR1 O14842 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
SCHEMBL3593663 0.91 SYK (0.49) SQORSYKHPGDALOX5KDM5A
SCHEMBL14390896 0.88 HPGD (0.42) SYKHPGDALOX5FFAR1
SCHEMBL3580685 0.86 PDE5A (0.48) SQORHPGDPIM1ALDH1A1
SCHEMBL3592445 0.85 SQOR (0.47) SQORACMSDHPGDPIM1MAPK8
SCHEMBL13545980 0.84 HDAC1 (0.41) ACMSDHPGDKDM4CIKBKBMAPK8
SCHEMBL3583516 0.81 SQOR (0.46) SQORHPGDPIM1KDM4CIKBKB
SCHEMBL3586498 0.79 SQOR (0.49) SQORHPGDALDH1A1
SCHEMBL3585039 0.78 SQOR (0.46) SQORSYKHPGDPIM1MAPK8
Tromethamine SCHEMBL3584251 0.78 SQOR (0.43) SQORHPGDPIM1KDM4CIKBKB
SCHEMBL3587275 0.78 KMT2A (0.46) SQORACMSDHPGDALDH1A1

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-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — WO 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 SQOR 3669/4885SYK 952/4885ACMSD 4770/4885

“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