SCHEMBL1818231

SCHEMBL1818231

FC(F)(F)c1csc(Nc2c(Cl)cccc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.44
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ CCR4 P51679 5/20 0.43
▸ FFAR2 O15552 1/20 0.42
▸ VCP P55072 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ CETP P11597 1/20 0.39

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
SCHEMBL29274297 0.79 KDM1A (0.56) CCR4VCPMEN1KMT2AGAA
SCHEMBL30956259 0.79 KDM1A (0.56) CCR4VCPMEN1KMT2AGAA
SCHEMBL29274278 0.77 ALOX5 (0.62) CCR4FFAR2VCPMEN1KMT2A
SCHEMBL30956254 0.74 VCP (0.63) CCR4VCPMEN1KMT2AMAPT
SCHEMBL29274280 0.74 VCP (0.63) CCR4VCPMEN1KMT2AMAPT
SCHEMBL9738310 0.73 KDM4E (0.47) TRPV1MEN1KMT2ALMNAGAA
SCHEMBL14422246 0.73 TRPV1 (0.51) TRPV1MEN1KMT2ALMNAMAPT
SCHEMBL11897953 0.73 CCR4 (0.52) TRPV1CCR4MEN1KMT2ALMNA
SCHEMBL8670275 0.73 TRPM8 (0.48) TRPM8FFAR2MEN1KMT2ALMNA
SCHEMBL30956257 0.73 CCR4 (0.55) TRPV1CCR4VCPMEN1KMT2A

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 18 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-9718784-B2 Substituted pyrazoles as heat shock transcription factor activators DUKE UNIVERSITY (US) 2017-08-01 — — US disclosed
US-9717709-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-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 TRPV1 624/4885TRPM8 1097/4885CCR4 3971/4885
US-20160024035-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 TRPV1 896/4885TRPM8 1234/4885CCR4 3877/4885
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 TRPV1 896/4885TRPM8 1234/4885CCR4 3877/4885
US-20130267543-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 TRPV1 896/4885TRPM8 1234/4885CCR4 3877/4885
US-20170000768-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 TRPV1 896/4885TRPM8 1234/4885CCR4 3877/4885

“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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