Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6236794

COc1ccc2[nH]c3c(c2c1)CC(CCCNCCCc1ccccc1)NC3=O.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.45
▸ MTNR1A P48039 2/20 0.41
▸ MTNR1B P49286 2/20 0.41
▸ ACHE P22303 1/20 0.40
▸ MAPKAPK2 P49137 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MDH2 P40926 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 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
Trifluoroacetic Acid SCHEMBL6349599 0.97 HTR2A (0.43) HTR2AMTNR1AMTNR1BACHEMAPKAPK2
SCHEMBL4265371 0.94 HTR2A (0.50) HTR2AMTNR1AMTNR1BMAPKAPK2KDM4E
Trifluoroacetic Acid SCHEMBL6238018 0.93 MEN1 (0.43) HTR2AMTNR1AMTNR1BACHEMAPKAPK2
SCHEMBL4264386 0.90 HTR2A (0.48) HTR2AMTNR1AMTNR1BMAPKAPK2KDM4E
SCHEMBL4265825 0.86 HTR2A (0.46) HTR2AMTNR1AMTNR1BMAPKAPK2KDM4E
Trifluoroacetic Acid SCHEMBL6235847 0.84 MAPKAPK2 (0.48) HTR2AMTNR1AMTNR1BMAPKAPK2KDM4E
Trifluoroacetic Acid SCHEMBL6240089 0.82 MAPKAPK2 (0.50) HTR2AMTNR1AMTNR1BMAPKAPK2KDM4E
Trifluoroacetic Acid SCHEMBL1658738 0.81 MAPKAPK2 (0.56) HTR2AMTNR1AMTNR1BMAPKAPK2KDM4E
SCHEMBL1656589 0.77 KDM4E (0.52) HTR2AMTNR1AMTNR1BMAPKAPK2KDM4E
SCHEMBL6238537 0.77 KDM4E (0.51) HTR2AMTNR1AMTNR1BMAPKAPK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-30 — — US disclosed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 — — US disclosed
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 — — 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 HTR2A 1004/4885MTNR1A 1886/4885MTNR1B 766/4885
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 HTR2A 1202/4885MTNR1A 2370/4885MTNR1B 950/4885

“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.