SCHEMBL6489475

SCHEMBL6489475

CCOC(=O)CCCOc1cc(C)c2nc(C)n(Cc3ccc(C(=O)OCC)cc3OC)c2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.39
PTPN1 P18031 3/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
PLA2G2A P14555 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
NLRP3 Q96P20 1/20 0.38
TNF P01375 1/20 0.37
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
BRD4 O60885 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
SCHEMBL6498255 0.87 FAAH (0.41) PTPN1AGTR1AGTR2PLA2G2ATNF
SCHEMBL6503025 0.84 AGTR1 (0.46) PTPN1AGTR1AGTR2
SCHEMBL6496755 0.83 PDE3B (0.44) PLA2G2ACYSLTR2CYSLTR1PDE3BPDE3A
SCHEMBL6491512 0.83 MCL1 (0.41) PTPN1PLA2G2AMAPTTNFCYSLTR2
SCHEMBL6487030 0.82 PDE3B (0.42) PTPN1PLA2G2ACYSLTR2CYSLTR1PDE3B
SCHEMBL6489517 0.81 PDE3B (0.43) PLA2G2ACYSLTR2CYSLTR1PDE3BPDE3A
SCHEMBL6499832 0.81 PLA2G2A (0.42) PLA2G2AMAPTCYSLTR2CYSLTR1PDE3B
SCHEMBL6486770 0.81 MCL1 (0.40) PLA2G2AMAPTTNFCYSLTR2CYSLTR1
SCHEMBL6502915 0.81 SMN1; SMN2 (0.44) PLA2G2AMAPTCYSLTR2CYSLTR1PDE3B
SCHEMBL6501772 0.80 PIK3C2B (0.47) PLA2G2AMAPTCYSLTR2CYSLTR1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD HSD17B2 824/4885PTPN1 2165/4885AGTR1 2045/4885

“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.