SCHEMBL2845658

SCHEMBL2845658

O=S(=O)(Cl)c1ccc(Oc2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP19A1 P11511 3/20 0.54
HTT P42858 3/20 0.50
FFAR4 Q5NUL3 1/20 0.49
LTA4H P09960 1/20 0.49
SOS1 Q07889 1/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MMP1 P03956 1/20 0.47
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 5/20 0.47
SIRT6 Q8N6T7 1/20 0.45
CCR2 P41597 1/20 0.44
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6510014 0.86 TDP1 (0.58) LMNATDP1CYP19A1HTTFFAR4
SCHEMBL7658570 0.85 CA2 (0.59) CYP19A1CYP11B1CYP11B2ALDH1A1PTGS2
SCHEMBL16114401 0.83 LMNA (0.75) LMNATDP1CYP19A1HTTLTA4H
SCHEMBL31244 0.81 SOS1 (0.64) LMNATDP1HTTFFAR4LTA4H
SCHEMBL9536733 0.81 SOS1 (0.64) LMNATDP1HTTFFAR4LTA4H
SCHEMBL9720036 0.81 HTT (0.58) LMNATDP1HTTSOS1ALDH1A1
SCHEMBL433497 0.81 HTT (0.58) LMNATDP1HTTSOS1ALDH1A1
SCHEMBL1656016 0.80 MMP1 (0.50) LMNATDP1HTTSOS1MMP1
SCHEMBL27968872 0.79 LMNA (0.69) LMNATDP1CYP19A1HTTLTA4H
SCHEMBL676142 0.79 LMNA (0.82) LMNATDP1CYP19A1HTTFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO disclosed
WO-2008050200-A1 OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-02 WO disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
WO-2005040112-A1 COMPOUNDS WITH PGD2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2005-05-06 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 (2 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-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PPARG, PPARA, PPARD LMNA 3043/4885TDP1 3027/4885CYP19A1 489/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 LMNA 2852/4885TDP1 1795/4885CYP19A1 1940/4885

“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.