Sugi Predict

Sugi Predict / Compounds / SCHEMBL501519

SCHEMBL501519

SCHEMBL501519

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ATM Q13315 1/20 0.34
▸ HSP90AA1 P07900 5/20 0.34
▸ HSP90AB1 P08238 5/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GBA1 P04062 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32

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
SCHEMBL501077 0.87 TSHR (0.36) TSHRMAPK1ALOX15ALDH1A1LMNA
SCHEMBL501656 0.85 CA12 (0.41) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL501322 0.84 ACKR3 (0.39) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL500860 0.83 ALDH1A1 (0.42) TSHRALDH1A1LMNAPOLBMAPT
SCHEMBL500883 0.83 TSHR (0.38) TSHRMAPK1ALOX15ALDH1A1LMNA
SCHEMBL501551 0.83 KMT2A (0.39) TSHRMAPK1ALDH1A1LMNAHSP90AA1
SCHEMBL500902 0.82 ACKR3 (0.38) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL501526 0.81 KDM4E (0.43) ALDH1A1MAPTKDM4E
SCHEMBL501011 0.81 USP2 (0.45) TSHRMAPK1ALDH1A1POLB
SCHEMBL500884 0.80 TSHR (0.38) TSHRMAPK1ALOX15ALDH1A1LMNA

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 22 patents — showing the first 20. 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-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-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-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-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 — — US disclosed
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-04-26 — — 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-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 — — 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
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 — — 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 3892/4885MAPK1 1405/4885ALOX15 3653/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 TSHR 3892/4885MAPK1 1405/4885ALOX15 3653/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 TSHR 3892/4885MAPK1 1405/4885ALOX15 3653/4885
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 TSHR 3892/4885MAPK1 1405/4885ALOX15 3653/4885

“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.