Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20189748

Cc1cccc(NC[C@H]2CCNCC2(F)F)n1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
CRHR1 P34998 1/20 0.41
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 1/20 0.38
GAA P10253 1/20 0.37
PAK1 Q13153 1/20 0.36
GRIN2B Q13224 1/20 0.35
SSTR4 P31391 1/20 0.35
SORT1 Q99523 3/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TPSAB1 Q15661 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GBA1 P04062 1/20 0.34
KMT2A Q03164 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
SCHEMBL20189883 0.90 PAK1 (0.38) CRHR1HCRTR1HCRTR2PAK1GRIN2B
SCHEMBL20189880 0.90 PAK1 (0.38) CRHR1HCRTR1HCRTR2PAK1GRIN2B
Trifluoroacetic Acid SCHEMBL20188684 0.85 GRIN2B (0.46) HRH4HRH3HCRTR1HCRTR2PAK1
Trifluoroacetic Acid SCHEMBL20189369 0.78 HRH4 (0.44) HRH4HRH3HCRTR1GRIN2BSSTR4
Trifluoroacetic Acid SCHEMBL20189608 0.78 HRH4 (0.44) HRH4HRH3HCRTR1GRIN2BSSTR4
Trifluoroacetic Acid SCHEMBL25432970 0.78 HRH4 (0.43) HRH4HRH3GRIN2BSSTR4CYP3A4
Trifluoroacetic Acid SCHEMBL20189703 0.78 HRH4 (0.43) HRH4HRH3GRIN2BSSTR4CYP3A4
Trifluoroacetic Acid SCHEMBL18280984 0.78 GRIN2B (0.45) HRH4HRH3GRIN2BSSTR4CYP3A4
Trifluoroacetic Acid SCHEMBL20189970 0.78 HRH4 (0.40) HRH4HRH3HCRTR1PAK1GRIN2B
Trifluoroacetic Acid SCHEMBL20189794 0.78 HRH4 (0.39) HRH4HRH3GRIN2BSSTR4CYP2C9

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 663/4885CRHR1 162/4885
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B HRH4 433/4885HRH3 663/4885CRHR1 162/4885
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B HRH4 433/4885HRH3 663/4885CRHR1 162/4885
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2C, GRIN3A, GRIN1 HRH4 135/4885HRH3 177/4885CRHR1 68/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B HRH4 433/4885HRH3 663/4885CRHR1 162/4885
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B HRH4 433/4885HRH3 663/4885CRHR1 162/4885

“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.