Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL442381

Clc1nc2c(c(N3CCOCC3)n1)CNC2.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.44
RAF1 P04049 4/20 0.43
BRAF P15056 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.34
HTR2C P28335 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2B P41595 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
KCNJ1 P48048 1/20 0.32
PIK3CA P42336 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL414059 0.87 MTOR (0.44) MTORRAF1BRAFL3MBTL1HTR2C
Hydrochloric Acid SCHEMBL22718448 0.86 MTOR (0.43) MTORRAF1BRAFL3MBTL1HTR2C
Trifluoroacetic Acid SCHEMBL30321315 0.76 UHRF1 (0.31)
SCHEMBL23493540 0.76 HTR2C (0.51) MTORRAF1BRAFHTR2CSMN1; SMN2
SCHEMBL20042813 0.74 HTR2C (0.37) MTORHTR2CSMN1; SMN2
Trifluoroacetic Acid SCHEMBL29710241 0.74 LMNA (0.35) MTORRAF1BRAFMAPTLMNA
Trifluoroacetic Acid SCHEMBL31614806 0.71 MTOR (0.38) MTORRAF1BRAFKDM4EMEN1
SCHEMBL27821544 0.71 MTOR (0.44) MTORSMN1; SMN2POLB
SCHEMBL22727886 0.71 MTOR (0.47) MTORRAF1BRAFHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL29710372 0.70 RAF1 (0.38) MTORRAF1BRAFMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406258-B1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LTD (GB) 2014-12-03 EP disclosed
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED 2014-10-02 US disclosed
US-8785457-B2 Pyrimidine derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2014-07-22 US disclosed
US-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2012-03-15 US disclosed
EP-2406258-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Cellzome Limited (GB) 2012-01-18 EP disclosed
WO-2010103094-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2010-09-16 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-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885RAF1 300/4885BRAF 292/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885RAF1 300/4885BRAF 292/4885

“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.