Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL484753

O=C(O)C(F)(F)F.c1cc2cc(N3CCC4(CCNC4)CC3)ccc2cn1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
CYP11B1 P15538 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
C1S P09871 2/20 0.39
TPH1 P17752 1/20 0.39
ATR Q13535 1/20 0.39
PIM1 P11309 1/20 0.39
CYP2D6 P10635 4/20 0.39
TSHR P16473 3/20 0.39
HIF1A Q16665 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MCHR1 Q99705 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C9 P11712 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
SCHEMBL13131249 0.90 CYP11B1 (0.51) MMP2MMP13ADAMTS5CYP11B1SLC6A2
SCHEMBL485507 0.76 ITGB3 (0.47) MMP2MMP13ADAMTS5CYP2D6TSHR
SCHEMBL484754 0.74 SOS1 (0.39) CYP11B1SLC6A2SLC6A4SLC6A3C1S
SCHEMBL6017418 0.73 HTR3E (0.63) ALDH1A1ABL1PHGDH
Trifluoroacetic Acid SCHEMBL27225609 0.72 LATS1 (0.46) CYP11B1ATRPIM1CYP3A4ROCK2
Trifluoroacetic Acid SCHEMBL30064208 0.72 LATS1 (0.46) CYP11B1ATRPIM1CYP3A4ROCK2
Hydrochloric Acid SCHEMBL30609660 0.71 HTR3E (0.61) ALDH1A1ABL1PHGDH
Hydrochloric Acid SCHEMBL2801289 0.71 HTR3E (0.61) ALDH1A1ABL1PHGDH
SCHEMBL3082414 0.71 CYP2D6 (0.59) CYP11B1SLC6A2SLC6A4SLC6A3CYP2D6
Trifluoroacetic Acid SCHEMBL2816008 0.71 HRH4 (0.49) CYP11B1PIM1CYP2D6TSHRCYP3A4

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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN MMP2 3238/4885MMP13 4377/4885ADAMTS5 3160/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN MMP2 3238/4885MMP13 4377/4885ADAMTS5 3160/4885

“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.