Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20190218

N#Cc1cnc(NC[C@H]2CCNCC2(F)F)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.45
CHEK2 O96017 5/20 0.45
NUAK1 O60285 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
FLT1 P17948 1/20 0.39
MARK3 P27448 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
CLK2 P49760 1/20 0.39
RPS6KA3 P51812 1/20 0.39
PRKAG1 P54619 1/20 0.39
KCNH2 Q12809 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKD1 Q15139 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
PHKG1 Q16816 1/20 0.39
MAPK15 Q8TD08 1/20 0.39
BRSK1 Q8TDC3 1/20 0.39
PRKAB1 Q9Y478 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
SCHEMBL20202906 0.90 CHEK1 (0.53) CHEK1CHEK2NUAK1CDK1CCNB1
SCHEMBL20202905 0.90 CHEK1 (0.53) CHEK1CHEK2NUAK1CDK1CCNB1
Trifluoroacetic Acid SCHEMBL20188684 0.85 GRIN2B (0.46) KCNH2HRH4HRH3
Trifluoroacetic Acid SCHEMBL20189773 0.84 HRH4 (0.37) CHEK1KCNH2HRH4HRH3
Trifluoroacetic Acid SCHEMBL18280984 0.82 GRIN2B (0.45) HRH4HRH3
Trifluoroacetic Acid SCHEMBL20189633 0.79 HRH4 (0.39) FLT3KCNH2HRH4HRH3
Trifluoroacetic Acid SCHEMBL20189369 0.78 HRH4 (0.44) HRH4HRH3
Trifluoroacetic Acid SCHEMBL20189608 0.78 HRH4 (0.44) HRH4HRH3
Trifluoroacetic Acid SCHEMBL25432970 0.78 HRH4 (0.43) KCNH2HRH4HRH3
Trifluoroacetic Acid SCHEMBL20189703 0.78 HRH4 (0.43) KCNH2HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2026-01-20 US disclosed
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2024-06-27 US disclosed
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2023-09-12 US disclosed
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-07-22 US disclosed
US-11000526-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-05-11 US disclosed
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-10-03 US disclosed
EP-3544610-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS Rugen Holdings (Cayman) Limited (KY) 2019-10-02 EP disclosed
WO-2018098128-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-05-31 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 (6 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-11000526-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B CHEK1 4099/4885CHEK2 3531/4885NUAK1 1650/4885
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B CHEK1 4099/4885CHEK2 3531/4885NUAK1 1650/4885
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B CHEK1 4099/4885CHEK2 3531/4885NUAK1 1650/4885
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2C, GRIN3A, GRIN1 CHEK1 3699/4885CHEK2 3743/4885NUAK1 1660/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B CHEK1 4099/4885CHEK2 3531/4885NUAK1 1650/4885
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B CHEK1 4099/4885CHEK2 3531/4885NUAK1 1650/4885

“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.