SCHEMBL4497575

SCHEMBL4497575

Cc1cc(C(=O)O)cc(-n2nnc3ccccc32)c1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.56
MGAM O43451 10/20 0.56
AMY1A P0DUB6 10/20 0.56
SI P14410 10/20 0.56
MGAM2 Q2M2H8 10/20 0.56
KMT2A Q03164 2/20 0.55
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 1/20 0.48
KCNMA1 Q12791 1/20 0.48
RXRA P19793 1/20 0.46
PPARG P37231 1/20 0.46
APAF1 O14727 2/20 0.44
TDP2 O95551 1/20 0.44
MAPT P10636 1/20 0.44
F2 P00734 1/20 0.43
HPGD P15428 1/20 0.43
SLC9A1 P19634 1/20 0.43

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
SCHEMBL21247974 0.78 KMT2A (0.51) GAAMGAMAMY1ASIMGAM2
SCHEMBL25078456 0.74 KCNMA1 (0.58) GAAMGAMAMY1ASIMGAM2
SCHEMBL8262277 0.73 GAA (0.49) GAAMGAMAMY1ASIMGAM2
SCHEMBL20934670 0.73 GAA (0.49) GAAMGAMAMY1ASIMGAM2
SCHEMBL24022194 0.73 SMN1; SMN2 (0.50) GAAMGAMAMY1ASIMGAM2
SCHEMBL12321787 0.73 KMT2A (0.56) GAAMGAMAMY1ASIMGAM2
SCHEMBL19092972 0.73 KCNMA1 (0.61) GAAMGAMAMY1ASIMGAM2
SCHEMBL25922416 0.72 KCNMA1 (0.46) GAAMGAMAMY1ASIMGAM2
SCHEMBL4209963 0.72 KCNMA1 (0.64) GAAKMT2ARAB9ASMN1; SMN2TSHR
SCHEMBL25862494 0.72 KCNMA1 (0.64) GAAKMT2ARAB9ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569568-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-20070032492-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
EP-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 EP disclosed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP disclosed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
US-20040102492-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-27 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 (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-20040102492-A1 Cytokine inhibitors IL1A, IL1B, IL1RN GAA 1999/4885MGAM 4177/4885AMY1A 336/4885
US-20070032492-A1 Cytokine Inhibitors IL1B, IL1A, IL1RN GAA 2209/4885MGAM 4459/4885AMY1A 479/4885

“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.