SCHEMBL1821848

SCHEMBL1821848

CC(=O)c1ccc(Nc2nc(C(F)(F)F)cs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.60
▸ KDM1A O60341 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ RAD52 P43351 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ CCR4 P51679 1/20 0.48
▸ CFTR P13569 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ FFAR2 O15552 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 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
SCHEMBL1821785 0.81 VCP (0.59) ALOX5KDM1AGAACCR4MAPT
SCHEMBL17465578 0.81 NPC1 (0.63) ALOX5GAACCR4NPC1RAB9A
SCHEMBL263507 0.80 CCR4 (0.51) ALOX5KDM1AGAAHDAC6CCR4
SCHEMBL17465577 0.80 CCR4 (0.50) ALOX5KDM1AGAACCR4NPC1
SCHEMBL29274266 0.79 ALOX5 (0.59) ALOX5GAACCR4CFTRNPC1
SCHEMBL2303876 0.79 FFAR2 (0.51) KDM1AGAACCR4NPC1RAB9A
SCHEMBL19119062 0.79 CCR4 (0.50) ALOX5KDM1AGAAHDAC6CCR4
SCHEMBL262169 0.79 FFAR2 (0.51) KDM1AGAACCR4NPC1RAB9A
SCHEMBL2303870 0.79 FFAR2 (0.51) KDM1AGAACCR4NPC1RAB9A
SCHEMBL2185845 0.79 FFAR2 (0.51) GAACCR4CFTRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000768-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF CHAPERONE THERAPEUTICS, INC. 2017-01-05 — — US claimed
US-20160221958-A1 SUBSTITUTED PYRAZOLES AS HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATORS DUKE UNIVERSITY 2016-08-04 — — US claimed
US-20130267543-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF CHAPERONE THERAPEUTICS, INC. (US) 2013-10-10 — — US claimed
EP-2637658-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF Duke University (US) 2013-09-18 — — EP claimed
WO-2012064715-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2012-05-18 — — WO claimed
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2011-05-12 — — US claimed
US-9717709-B2 Substituted pyrazoles as heat shock transcription factor activators DUKE UNIVERSITY (US) 2017-08-01 — — US disclosed
US-9718784-B2 Substituted pyrazoles as heat shock transcription factor activators DUKE UNIVERSITY (US) 2017-08-01 — — US disclosed
US-20170000768-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF CHAPERONE THERAPEUTICS, INC. 2017-01-05 — — US disclosed
US-9447058-B2 Substituted 1,3-thiazoles as heat shock transcription factor 1 activators DUKE UNIVERSITY (US) 2016-09-20 — — US disclosed
US-20160221958-A1 SUBSTITUTED PYRAZOLES AS HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATORS DUKE UNIVERSITY 2016-08-04 — — US disclosed
US-9315449-B2 Substituted pyrazoles as heat shock transcription factor activators DUKE UNIVERSITY (US) 2016-04-19 — — US disclosed
US-20160024035-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY 2016-01-28 — — US disclosed
US-20160024035-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY 2016-01-28 — — US disclosed
US-20160024035-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY 2016-01-28 — — US disclosed
US-9156775-B2 Substituted 1,3-thiazoles as heat shock transcription factor 1 activators DUKE UNIVERSITY (US) 2015-10-13 — — US disclosed
US-20130267543-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF CHAPERONE THERAPEUTICS, INC. (US) 2013-10-10 — — US disclosed
EP-2637658-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF Duke University (US) 2013-09-18 — — EP disclosed
WO-2012064715-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2012-05-18 — — WO disclosed
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2011-05-12 — — 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 (5 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-20160221958-A1 SUBSTITUTED PYRAZOLES AS HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATORS HSF1, HSP90AB1, HSPBP1 ALOX5 3430/4885KDM1A 3398/4885GAA 2739/4885
US-20160024035-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 ALOX5 3324/4885KDM1A 4052/4885GAA 1805/4885
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 ALOX5 3324/4885KDM1A 4052/4885GAA 1805/4885
US-20130267543-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 ALOX5 3324/4885KDM1A 4052/4885GAA 1805/4885
US-20170000768-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 ALOX5 3324/4885KDM1A 4052/4885GAA 1805/4885

“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.

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