SCHEMBL500884

SCHEMBL500884

Cc1ccc(-n2c(C(N)=O)nnc2-c2cc(S(=O)(=O)NC(O)Cc3ccccc3)c(O)cc2O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MMP9 P14780 1/20 0.37
GAA P10253 2/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ANXA2 P07355 1/20 0.34
S100A10 P60903 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL501656 0.86 CA12 (0.41) TSHRALDH1A1LMNAGAAMAPK1
SCHEMBL500883 0.78 TSHR (0.38) TSHRALDH1A1LMNAGAAMAPK1
SCHEMBL501322 0.76 ACKR3 (0.39) TSHRALDH1A1LMNAGAAMAPK1
SCHEMBL501490 0.75 MAPT (0.36) TSHRALDH1A1LMNAGAAHSP90AA1
SCHEMBL500902 0.74 ACKR3 (0.38) TSHRALDH1A1LMNAGAAMAPK1
SCHEMBL501455 0.72 POLB (0.46) TSHRALDH1A1MAPK1POLBNPSR1
SCHEMBL501130 0.71 POLB (0.34) TSHRALDH1A1LMNAGAAHSP90AA1
SCHEMBL501127 0.70 ALPG (0.39) ALDH1A1LMNAHSP90AA1HSP90AB1MAPK1
SCHEMBL501681 0.70 ALPG (0.39) ALDH1A1LMNAHSP90AA1HSP90AB1MAPK1
SCHEMBL501641 0.68 L3MBTL1 (0.47) ALDH1A1GAAKDM4ECDC25ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US claimed
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 US claimed
EP-2323737-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-05-25 EP claimed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 WO claimed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 US disclosed
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US disclosed
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 US disclosed
US-8486932-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2013-07-16 US disclosed
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-04-26 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 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 (4 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-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 TSHR 3892/4885ALDH1A1 2145/4885LMNA 4198/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 TSHR 3892/4885ALDH1A1 2145/4885LMNA 4198/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 TSHR 3892/4885ALDH1A1 2145/4885LMNA 4198/4885
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 TSHR 3892/4885ALDH1A1 2145/4885LMNA 4198/4885

“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.