SCHEMBL538229

SCHEMBL538229

CC(C)(c1ccc2cc(C(=O)O)ccc2n1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
PTPN1 P18031 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 4/20 0.41
HSP90AA1 P07900 1/20 0.40
ESR2 Q92731 1/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
HCAR3 P49019 1/20 0.38
PLA2G2D Q9UNK4 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37

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
SCHEMBL264448 0.88 TDP1 (0.44) TDP1SMN1; SMN2PTPN1NPC1RAB9A
SCHEMBL269136 0.87 MEN1 (0.35) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1838535 0.85 SMN1; SMN2 (0.46) TDP1SMN1; SMN2PTPN1NPC1RAB9A
SCHEMBL283862 0.85 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL265399 0.85 HTT (0.51) TDP1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL29518583 0.84 SMN1; SMN2 (0.51) TDP1SMN1; SMN2PTPN1NPC1RAB9A
SCHEMBL538271 0.84 SMN1; SMN2 (0.51) TDP1SMN1; SMN2PTPN1NPC1RAB9A
SCHEMBL263653 0.84 TDP1 (0.53) TDP1SMN1; SMN2NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL998884 0.83 SMN1; SMN2 (0.50) TDP1SMN1; SMN2PTPN1NPC1RAB9A
SCHEMBL263494 0.75 BACE1 (0.47) MEN1KMT2AKDM4EALDH1A1MAPT

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed
EP-2841421-B1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2019-06-05 EP disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-16 US disclosed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 WO disclosed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 WO disclosed
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2008059370-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-22 WO disclosed
WO-2008059370-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-22 WO disclosed
WO-2008050199-A2 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-02 WO disclosed
WO-2008050199-A2 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-02 WO disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO 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 (2 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-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN5A, SCN1A TDP1 1819/4885SMN1; SMN2 528/4885PTPN1 1691/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H TDP1 3112/4885SMN1; SMN2 708/4885PTPN1 560/4885

“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.