Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL506997

O=C(O)C(F)(F)F.O=C1c2ccccc2C(=O)N1CCCSc1c(Cl)ccc2c1CCNCC2

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LPAR2 Q9HBW0 1/20 0.39
▸ LPAR3 Q9UBY5 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 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
SCHEMBL10229240 0.92 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19LPAR2LPAR3
Trifluoroacetic Acid SCHEMBL508343 0.85 HTR2A (0.36) CYP1A2CYP2D6LMNAHTR2AHTR2C
SCHEMBL10229348 0.80 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19LPAR2LPAR3
SCHEMBL10274969 0.79 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C19ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL507752 0.79 KMT2A (0.37) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL506998 0.79 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C19LPAR2LPAR3
Hydrochloric Acid SCHEMBL2369887 0.79 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19LPAR2LPAR3
Succinic Acid SCHEMBL507658 0.78 HTR7 (0.39) —
Trifluoroacetic Acid SCHEMBL506658 0.78 PKM (0.38) CYP1A2CYP2D6CYP2C19ALDH1A1TSHR
Succinic Acid SCHEMBL506892 0.77 DRD2 (0.46) POLB

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
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 — — US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 — — EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 — — US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 — — US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 — — US 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 CYP1A2 348/4885CYP2D6 567/4885CYP2C19 275/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CYP1A2 239/4885CYP2D6 264/4885CYP2C19 164/4885

“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.