SCHEMBL2879883

SCHEMBL2879883

CCCCNc1cc(C(=O)O)cc(N2OSO2)c1-c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM6B O15054 2/20 0.45
▸ KDM4C Q9H3R0 2/20 0.45
▸ HCAR3 P49019 4/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ SLC12A2 P55011 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CDC7 O00311 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ MAP4K4 O95819 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
SCHEMBL2880840 0.90 KDM4E (0.44) KDM6BKDM4CHCAR3KDM4EUSP2
SCHEMBL10281399 0.84 HCAR3 (0.39) KDM6BKDM4CHCAR3KDM4EUSP2
SCHEMBL18993699 0.81 KDM6B (0.51) KDM6BKDM4CHCAR3TP53POLB
SCHEMBL2881965 0.80 ADORA3 (0.40) KDM6BKDM4CHCAR3TP53POLB
SCHEMBL10281794 0.79 HCAR3 (0.42) KDM6BKDM4CHCAR3KDM4EUSP2
SCHEMBL2875078 0.79 HCAR3 (0.42) KDM6BKDM4CHCAR3KDM4EUSP2
SCHEMBL16577885 0.78 KDM6B (0.48) KDM6BKDM4CHCAR3TP53POLB
SCHEMBL16581072 0.78 KDM6B (0.48) KDM6BKDM4CHCAR3TP53POLB
SCHEMBL14886069 0.78 KDM6B (0.47) KDM6BKDM4CHCAR3TP53POLB
SCHEMBL2883306 0.77 CA2 (0.42) KDM6BKDM4CHCAR3POLBKDM4E

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-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-01-05 — — US disclosed
WO-2010085352-A2 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2010-07-29 — — 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-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 KDM6B 4791/4885KDM4C 4765/4885HCAR3 751/4885

“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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