Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1313459

COc1cc(C(=O)NCC2CCNCC2)ccc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.55
F10 P00742 2/20 0.51
BRD4 O60885 1/20 0.51
SUV39H2 Q9H5I1 2/20 0.50
ROCK2 O75116 1/20 0.49
TOP2A P11388 2/20 0.49
KCNH2 Q12809 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRM1 P11229 4/20 0.46
CHRM3 P20309 1/20 0.46
MAPK14 Q16539 1/20 0.45

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
SCHEMBL12112474 0.93 HTR4 (0.62) HTR4F10BRD4SUV39H2ROCK2
SCHEMBL13846080 0.80 HTR4 (0.67) HTR4F10BRD4SUV39H2ROCK2
Hydrochloric Acid SCHEMBL11714021 0.76 TDP1 (0.74) HTR4BRD4ROCK2SMYD3TDP1
Trifluoroacetic Acid SCHEMBL16208877 0.75 HTR4 (0.46) HTR4BRD4TDP1
SCHEMBL1313080 0.75 KDM4E (0.66) HTR4F10SUV39H2KCNH2CACNA1I
SCHEMBL6066542 0.74 F10 (0.85) F10
SCHEMBL13575608 0.74 HTR4 (0.61) HTR4F10BRD4SUV39H2ROCK2
SCHEMBL13846100 0.74 HTR4 (0.61) HTR4F10BRD4SUV39H2ROCK2
SCHEMBL13846092 0.74 HTR4 (0.61) HTR4F10BRD4SUV39H2ROCK2
Hydrochloric Acid SCHEMBL6066473 0.74 F10 (0.83) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2375899-B1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF IN THE TREATMENT OF DIABETES ARRAY BIOPHARMA INC (US) 2015-02-25 EP disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 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 (1 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 HTR4 2748/4885F10 4375/4885BRD4 2695/4885

“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.