SCHEMBL2006548

SCHEMBL2006548

COC(=O)Cc1ccc(Oc2ccc3c(c2[N+](=O)[O-])C(SC)C(=O)N3)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PPARG P37231 1/20 0.33
UTS2R Q9UKP6 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.32
GFER P55789 1/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
CHEK1 O14757 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL2004352 0.72 DCTPP1 (0.38) ALDH1A1KMT2AMEN1TDP1PKM
SCHEMBL2003157 0.72 MAOA (0.44) ALDH1A1CHEK1TDP1
SCHEMBL2001272 0.70 PTGDR (0.50) ALDH1A1SMN1; SMN2PTGDRPTGDR2KMT2A
SCHEMBL2005462 0.68 PTGDR (0.48) ALDH1A1PPARGGAAGFERPTGDR
SCHEMBL4992802 0.67 ALDH1A1 (0.52) ALDH1A1GAAGFERKMT2AMEN1
SCHEMBL13816310 0.66 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAPTGDRPTGDR2
SCHEMBL14819904 0.66 GFER (0.39) ALDH1A1SMN1; SMN2GAAGFERTDP1
SCHEMBL7896877 0.65 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAGFERKMT2A
SCHEMBL2003491 0.65 CHEK1 (0.46) ALDH1A1SMN1; SMN2PPARGGAAGFER
SCHEMBL731999 0.64 MEN1 (0.56) ALDH1A1SMN1; SMN2GAAGFERKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 EP disclosed
EP-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 EP disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 US disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 US disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 US disclosed
EP-2164828-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION Amgen Inc. (US) 2010-03-24 EP disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
WO-2008137027-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. (US) 2008-11-13 WO disclosed
WO-2008137027-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. (US) 2008-11-13 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-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION CCL11, LTC4S, TSLP LDHA 2007/4885ALDH1A1 495/4885SMN1; SMN2 4801/4885

“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.