Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20189970

Cc1cnc(NC[C@H]2CCNCC2(F)F)nc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.40
HRH3 Q9Y5N1 3/20 0.40
GRIN2B Q13224 5/20 0.39
CYP2D6 P10635 2/20 0.39
KCNH2 Q12809 2/20 0.39
HCRTR1 O43613 7/20 0.36
SSTR4 P31391 1/20 0.35
PAK1 Q13153 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
PAK2 Q13177 1/20 0.34

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 SCHEMBL20189633 0.90 HRH4 (0.39) HRH4HRH3GRIN2BCYP2D6KCNH2
SCHEMBL20202870 0.90 GRIN2B (0.38) GRIN2BCYP2D6KCNH2HCRTR1SSTR4
Trifluoroacetic Acid SCHEMBL20189202 0.89 HCRTR1 (0.39) HRH4HRH3HCRTR1
Trifluoroacetic Acid SCHEMBL20189608 0.88 HRH4 (0.44) HRH4HRH3GRIN2BHCRTR1SSTR4
Trifluoroacetic Acid SCHEMBL20189369 0.88 HRH4 (0.44) HRH4HRH3GRIN2BHCRTR1SSTR4
Trifluoroacetic Acid SCHEMBL20189773 0.87 HRH4 (0.37) HRH4HRH3GRIN2BCYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL20188684 0.86 GRIN2B (0.46) HRH4HRH3GRIN2BCYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL18280963 0.84 CYP2D6 (0.49) HRH4HRH3GRIN2BCYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL18280984 0.80 GRIN2B (0.45) HRH4HRH3GRIN2BCYP2D6SSTR4
SCHEMBL20202800 0.80 LRRK2 (0.36) HCRTR1SSTR4

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 HRH4 433/4885HRH3 663/4885GRIN2B 3/4885
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B HRH4 433/4885HRH3 663/4885GRIN2B 3/4885
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B HRH4 433/4885HRH3 663/4885GRIN2B 3/4885
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2C, GRIN3A, GRIN1 HRH4 135/4885HRH3 177/4885GRIN2B 8/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B HRH4 433/4885HRH3 663/4885GRIN2B 3/4885
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B HRH4 433/4885HRH3 663/4885GRIN2B 3/4885

“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.