Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1613541

O=C(O)C(F)(F)F.O=S(=O)(Nc1cccc(N2CCNCC2)c1)c1ccccc1OC(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.56
▸ ALOX12 P18054 1/20 0.46
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ KAT6A Q92794 1/20 0.42
▸ GUSB P08236 2/20 0.41
▸ SLC22A12 Q96S37 2/20 0.39
▸ GHSR Q92847 1/20 0.39
▸ PKLR P30613 2/20 0.39
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TDP1 Q9NUW8 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
SCHEMBL1726417 0.92 HTR6 (0.61) HTR6ALOX12KEAP1NFE2L2KAT6A
Trifluoroacetic Acid SCHEMBL1612008 0.87 HTR6 (0.48) HTR6SLC22A12PKLRHTR1DHTR2C
Trifluoroacetic Acid SCHEMBL1610987 0.84 HTR6 (0.56) HTR6GHSRHTR1DHTR2CHTR3A
Trifluoroacetic Acid SCHEMBL1613492 0.84 HTR6 (0.54) HTR6ALOX12KEAP1NFE2L2ALDH1A1
SCHEMBL1726890 0.79 HTR6 (0.54) HTR6HTR1DHTR2CHTR3ASIGMAR1
SCHEMBL1725755 0.77 HTR6 (0.68) HTR6ALOX12KEAP1NFE2L2KAT6A
SCHEMBL616766 0.77 HTR6 (0.65) HTR6ALOX12KAT6AGUSBHTR2C
Hydrochloric Acid SCHEMBL1611648 0.76 HTR6 (0.67) HTR6ALOX12KEAP1NFE2L2KAT6A
Hydrochloric Acid SCHEMBL616819 0.76 HTR6 (0.64) HTR6ALOX12KAT6AGUSBHTR2C
SCHEMBL1725886 0.76 HTR6 (0.62) HTR6GHSRHTR3EHTR3BHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011163279-A3 LOW-POWER WIRELESSLY-LINKED RFID TRACKING SYSTEM ROSE MARK D (US) 2012-05-10 — — WO disclosed
EP-2217583-B1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-11-30 — — EP disclosed
US-20110086863-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2011-04-14 — — US disclosed
US-7790727-B2 Benzenesulfonanilide compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2010-09-07 — — US disclosed
EP-2217583-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2010-08-18 — — EP disclosed
US-20090131452-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-05-21 — — US disclosed
WO-2009056632-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-05-07 — — 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-20090131452-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR1D, HTR1B HTR6 1/4885ALOX12 893/4885KEAP1 1798/4885
US-20110086863-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR1D, HTR1B HTR6 1/4885ALOX12 878/4885KEAP1 1761/4885

“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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