SCHEMBL3626525

SCHEMBL3626525

O=C(O)CCC(=O)c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.57
▸ TSHR P16473 3/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ NR4A2 P43354 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ USP5 P45974 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 1/20 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
SCHEMBL5368082 0.82 GSK3B (0.48) TSHRHIF1AHSD17B10NR4A2ALDH1A1
SCHEMBL11733812 0.82 KMT2A (0.53) TSHRHIF1AHSD17B10NR4A2ALDH1A1
SCHEMBL5375163 0.79 NR4A2 (0.54) TSHRHIF1AHSD17B10NR4A2ALDH1A1
SCHEMBL27915966 0.77 TTR (0.58) TTRTSHRHIF1AHSD17B10CYP2C9
SCHEMBL1191123 0.77 TTR (0.58) TTRTSHRESR1CYP3A4TDP1
SCHEMBL11741738 0.76 TTR (0.57) TTRTSHRHIF1AHSD17B10NR4A2
SCHEMBL10355834 0.76 ESR1 (0.57) TTRALDH1A1KMT2AFFAR1ESR1
SCHEMBL11742024 0.75 KMT2A (0.46) TSHRHIF1AHSD17B10NR4A2ALDH1A1
SCHEMBL11089924 0.74 USP5 (0.49) TSHRHIF1AHSD17B10NR4A2ALDH1A1
SCHEMBL11739448 0.74 KMT2A (0.58) TSHRHIF1AHSD17B10NR4A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 — — US disclosed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 — — US disclosed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 — — US disclosed
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 — — EP disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 — — US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 — — US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 — — US disclosed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 — — WO disclosed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 — — 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-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 TTR 2057/4885TSHR 1884/4885HIF1A 2133/4885

“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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