SCHEMBL4944734

SCHEMBL4944734

CC(Sc1nnc(-c2ccc(O)cc2O)n1-c1cccc2ccccc12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
PKM P14618 1/20 0.41
SLC22A12 Q96S37 4/20 0.41
PTGS2 P35354 1/20 0.40
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
DGAT1 O75907 3/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 1/20 0.38
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL8931412 0.83 HSP90AA1 (0.40) TSHRALOX15MAPK1CYP2C9CYP2C19
SCHEMBL931433 0.83 TLR8 (0.52) TSHRPKMHSP90AA1HSP90AB1
SCHEMBL8931020 0.82 KDM4E (0.48) TSHRSLC22A12CYP2C9CYP2C19CYP3A4
SCHEMBL930634 0.81 TLR8 (0.39) TSHRALOX15MAPK1CYP2C9CYP2C19
SCHEMBL974747 0.80 RXRA (0.49) PRNPRXFP1POLBHSP90AA1HSP90AB1
SCHEMBL12908632 0.80 TLR8 (0.42) TSHRALOX15MAPK1CYP2C9CYP2C19
SCHEMBL930765 0.77 TLR8 (0.43) TSHRHSP90AA1HSP90AB1
SCHEMBL931818 0.77 HSP90AA1 (0.43) CYP3A4HSP90AA1HSP90AB1
SCHEMBL930617 0.75 HSP90AA1 (0.42) CYP3A4HSP90AA1HSP90AB1
SCHEMBL14184187 0.75 HSP90AA1 (0.42) ALOX15HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 EP disclosed
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US disclosed
US-20140363830-A1 COMPOUNDS THAT MODULATE HSP90 ACTIVITY AND METHODS FOR IDENTIFYING SAME SYNTA PHARMACEUTICALS CORP. (US) 2014-12-11 US disclosed
US-20130172333-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2013-07-04 US disclosed
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. 2008-05-29 US disclosed
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same SYNTA PHARMACEUTICALS CORP 2008-01-31 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-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90AB2P TSHR 2300/4885ALOX15 2687/4885MAPK1 920/4885
US-20130172333-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P TSHR 4144/4885ALOX15 2884/4885MAPK1 1724/4885
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P TSHR 4144/4885ALOX15 2884/4885MAPK1 1724/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 TSHR 4341/4885ALOX15 3947/4885MAPK1 1561/4885

“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.