Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3750649

NC(=O)CN1CCOCC1.O=C(O)C(F)(F)F

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.75
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KCNJ1 P48048 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 5/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL16570813 0.87 KDM4E (1.00) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
SCHEMBL429276 0.87 KDM4E (1.00) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL6284934 0.85 HSD17B10 (0.74) KDM4EHSD17B10ALOX15TSHRKCNJ1
Hydrochloric Acid SCHEMBL2674609 0.85 KDM4E (0.95) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL8859868 0.85 KDM4E (0.95) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
SCHEMBL13833218 0.85 KDM4E (1.00) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL16571085 0.85 KDM4E (0.95) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
SCHEMBL11205570 0.85 KDM4E (1.00) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
Water SCHEMBL7425166 0.85 KDM4E (0.95) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4541214 0.83 KDM4E (0.48) KDM4ETSHRSMN1; SMN2ALDH1A1LMNA

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
EP-1912988-B1 7-SUBSTITUTED AZA-INDAZOLES, COMPOSITIONS CONTAINING SAME, PRODUCTION METHOD AND USE THEREOF AVENTIS PHARMA SA (FR) 2014-04-16 EP claimed
US-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-31 US claimed
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
US-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-31 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
EP-1476151-A1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Akzo Nobel N.V. (NL) 2004-11-17 EP disclosed
WO-2003068220-A1 1-ARYLSULFONYL-3-SUBSTITUTED INDOLE AND INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS AKZO NOBEL N.V. (NL) 2003-08-21 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 (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 KDM4E 2386/4885HSD17B10 1724/4885ALOX15 2297/4885
US-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof PRMT7, PRKACA, PRKX KDM4E 481/4885HSD17B10 3473/4885ALOX15 3251/4885

“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.