Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3755402

COc1ccc(S(=O)(=O)n2cc(C(=O)N3CCCNCC3)c3cc(F)ccc32)c2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 4/20 0.53
HTR6 P50406 7/20 0.48
KCNH2 Q12809 1/20 0.48
PKM P14618 1/20 0.41
TPSAB1 Q15661 2/20 0.39
OXTR P30559 1/20 0.39
REN P00797 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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) AVPR1BHTR6KCNH2PKMTPSAB1
Trifluoroacetic Acid SCHEMBL3752797 0.93 AVPR1B (0.52) AVPR1BHTR6KCNH2PKMTPSAB1
Trifluoroacetic Acid SCHEMBL3744543 0.92 HTR6 (0.47) AVPR1BHTR6KCNH2PKMTPSAB1
SCHEMBL3759249 0.83 ALDH1A1 (0.45) AVPR1BHTR6ALDH1A1TSHRSMN1; SMN2
SCHEMBL3751705 0.83 HTR6 (0.56) AVPR1BHTR6KCNH2RENALDH1A1
Trifluoroacetic Acid SCHEMBL3752788 0.80 AVPR1B (0.54) AVPR1BHTR6KCNH2OXTR
Trifluoroacetic Acid SCHEMBL3754067 0.78 HTR6 (0.51) HTR6KCNH2ALDH1A1
Trifluoroacetic Acid SCHEMBL3749338 0.78 AVPR1B (0.63) AVPR1BHTR6KCNH2PKMOXTR
SCHEMBL3754777 0.74 ALDH1A1 (0.48) AVPR1BHTR6ALDH1A1TSHRSMN1; SMN2
SCHEMBL3747271 0.74 ALDH1A1 (0.46) AVPR1BHTR6ALDH1A1TSHRSMN1; SMN2

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.