Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16238239

CC(=O)O[C@H]1CN2C[C@H]1N(C(=O)Nc1ccccn1)c1nc(-c3cccc(C(F)(F)F)c3)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.35
▸ PHGDH O43175 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ CPT2 P23786 1/20 0.33
▸ CPT1A P50416 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL16238241 1.00 KMO (0.35) KMOPHGDHTRPV1CYP1A2HTR2A
SCHEMBL16250017 0.97 PHGDH (0.37) KMOPHGDHTRPV1CYP1A2HTR2A
SCHEMBL16754681 0.97 PHGDH (0.37) KMOPHGDHTRPV1CYP1A2HTR2A
SCHEMBL16238583 0.97 PHGDH (0.37) KMOPHGDHTRPV1CYP1A2HTR2A
SCHEMBL16238586 0.97 PHGDH (0.37) KMOPHGDHTRPV1CYP1A2HTR2A
SCHEMBL16238585 0.97 PHGDH (0.37) KMOPHGDHTRPV1CYP1A2HTR2A
SCHEMBL16237586 0.91 PHGDH (0.37) KMOPHGDHTRPV1CYP1A2HTR2A
SCHEMBL16238075 0.90 CYP2C9 (0.36) KMOPHGDHTRPV1CYP1A2HTR2A
SCHEMBL16238078 0.90 CYP2C9 (0.36) KMOPHGDHTRPV1CYP1A2HTR2A
SCHEMBL16238080 0.90 CYP2C9 (0.36) KMOPHGDHTRPV1CYP1A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
EP-3221312-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2017-09-27 — — EP disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
EP-2997029-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2016-03-23 — — EP disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
WO-2014186313-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-11-20 — — 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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMO 866/4885PHGDH 1394/4885TRPV1 4249/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMO 768/4885PHGDH 1138/4885TRPV1 3670/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMO 866/4885PHGDH 1394/4885TRPV1 4249/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMO 768/4885PHGDH 1138/4885TRPV1 3670/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KMO 768/4885PHGDH 1138/4885TRPV1 3670/4885

“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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