SCHEMBL2004270

SCHEMBL2004270

COC(=O)Cc1ccc(Oc2ccc3c(cc(Br)n3C(=O)O)c2[N+](=O)[O-])c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 3/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PTGDR Q13258 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL12570813 0.89 MTNR1A (0.37) TTRABL1RIN1ALDH1A1LMNA
SCHEMBL2007225 0.86 TTR (0.37) TTRALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL12570811 0.78 MTNR1A (0.36) TTRALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL2006831 0.78 MAPT (0.46) TTRABL1RIN1ALDH1A1LMNA
SCHEMBL2010090 0.76 FBP1 (0.43) TTRALDH1A1LMNAHPGDMAPT
SCHEMBL2012915 0.75 ALDH1A1 (0.46) TTRALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL14014555 0.74 LMNA (0.43) TTRALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL14015527 0.74 MAPT (0.42) TTRALDH1A1LMNAHPGDMAPT
SCHEMBL2000722 0.73 ALDH1A1 (0.37) TTRALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL2007357 0.73 MAPT (0.41) TTRALDH1A1LMNAMAPTCASP7

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 5 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
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
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 TTR 4580/4885ABL1 2623/4885RIN1 2605/4885

“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.