SCHEMBL2879535

SCHEMBL2879535

CCCCNc1cc(C(=O)OCCCC)cc(S)c1Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.55
▸ TSHR P16473 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ BLM P54132 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ SLC12A2 P55011 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ AQP1 P29972 1/20 0.47
▸ PTGS2 P35354 3/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ ESR1 P03372 6/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40

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
SCHEMBL2880748 0.90 HPGD (0.58) LMNATSHRKDM4EBLMUSP2
SCHEMBL19300036 0.88 KDM4E (0.59) LMNATSHRKDM4EBLMUSP2
SCHEMBL2879559 0.88 KDM4E (0.69) LMNATSHRKDM4EBLMUSP2
SCHEMBL10169401 0.87 KDM4E (0.51) LMNATSHRKDM4EBLMUSP2
SCHEMBL2875996 0.87 ALDH1A1 (0.59) LMNATSHRKDM4EBLMUSP2
SCHEMBL12522799 0.86 KDM4E (0.58) LMNATSHRKDM4EBLMUSP2
SCHEMBL16577862 0.85 TSHR (0.53) LMNATSHRKDM4EBLMUSP2
SCHEMBL2876098 0.84 KDM4E (0.80) LMNATSHRKDM4EBLMUSP2
SCHEMBL12522571 0.83 ALDH1A1 (0.54) LMNATSHRKDM4EBLMUSP2
SCHEMBL2874561 0.82 ALDH1A1 (0.53) LMNATSHRKDM4EBLMUSP2

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-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-01-05 — — 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-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 LMNA 3023/4885TSHR 356/4885KDM4E 3528/4885

“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