Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3752797

COc1ccc2c(c1)c(C(=O)N1CCCNCC1)cn2S(=O)(=O)c1ccc(OC)c2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 4/20 0.52
HTR6 P50406 9/20 0.48
KCNH2 Q12809 1/20 0.48
OXTR P30559 1/20 0.47
PKM P14618 1/20 0.41
REN P00797 1/20 0.40
HTT P42858 1/20 0.39
TPSAB1 Q15661 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
POLB P06746 1/20 0.38

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 SCHEMBL3752822 0.93 AVPR1B (0.52) AVPR1BHTR6KCNH2OXTRPKM
Trifluoroacetic Acid SCHEMBL3755402 0.93 AVPR1B (0.53) AVPR1BHTR6KCNH2OXTRPKM
Trifluoroacetic Acid SCHEMBL3744543 0.92 HTR6 (0.47) AVPR1BHTR6KCNH2OXTRPKM
Trifluoroacetic Acid SCHEMBL3752788 0.88 AVPR1B (0.54) AVPR1BHTR6KCNH2OXTR
SCHEMBL3751705 0.83 HTR6 (0.56) AVPR1BHTR6KCNH2REN
SCHEMBL3747271 0.82 ALDH1A1 (0.46) AVPR1BHTR6HTTPOLB
Trifluoroacetic Acid SCHEMBL3749338 0.78 AVPR1B (0.63) AVPR1BHTR6KCNH2OXTRPKM
Trifluoroacetic Acid SCHEMBL3759250 0.77 HTR6 (0.49) HTR6HTR2APOLB
SCHEMBL3759249 0.75 ALDH1A1 (0.45) AVPR1BHTR6HTT
SCHEMBL3754777 0.74 ALDH1A1 (0.48) AVPR1BHTR6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 EP disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 US disclosed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 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-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D AVPR1B 966/4885HTR6 12/4885KCNH2 718/4885
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 AVPR1B 4049/4885HTR6 3425/4885KCNH2 3900/4885

“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.