Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1243553

Nc1ccccc1C(=O)Nc1cccc(Nc2cc(-c3cccc4c3oc3ccccc34)ncn2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.42
PIP4K2C Q8TBX8 2/20 0.42
P2RX1 P51575 1/20 0.37
PIP4K2A P48426 2/20 0.37
PIP4K2B P78356 2/20 0.37
PIKFYVE Q9Y2I7 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
CCNT1 O60563 4/20 0.36
CDK9 P50750 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
FADS1 O60427 2/20 0.36
POLB P06746 1/20 0.36

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 SCHEMBL1242107 0.94 PTGS1 (0.40) PTGS1PIP4K2CP2RX1NPSR1MAPT
SCHEMBL1244549 0.94 PIP4K2C (0.46) PTGS1PIP4K2CPIP4K2APIP4K2BPIKFYVE
Trifluoroacetic Acid SCHEMBL1242021 0.89 PIP4K2C (0.49) PTGS1PIP4K2CPIP4K2APIP4K2BPIKFYVE
SCHEMBL1244828 0.88 PIP4K2C (0.42) PTGS1PIP4K2CPIP4K2APIP4K2BPIKFYVE
Trifluoroacetic Acid SCHEMBL1242168 0.88 PIP4K2C (0.45) PTGS1PIP4K2CPIP4K2APIP4K2BPIKFYVE
Trifluoroacetic Acid SCHEMBL1244577 0.87 ALDH1A1 (0.40) PIP4K2CMAPTKDM4EHPGDCCNT1
Trifluoroacetic Acid SCHEMBL1243926 0.86 PIP4K2C (0.48) PIP4K2CPIP4K2APIP4K2BPIKFYVENPSR1
Trifluoroacetic Acid SCHEMBL1242277 0.85 PIP4K2C (0.43) PIP4K2CPIP4K2APIP4K2BPIKFYVENPSR1
SCHEMBL1244414 0.84 PIP4K2C (0.46) PIP4K2CPIP4K2APIP4K2BPIKFYVENPSR1
Trifluoroacetic Acid SCHEMBL1244417 0.84 PIP4K2C (0.46) PIP4K2CPIP4K2APIP4K2BPIKFYVENPSR1

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-7879853-B2 tyrosisne kinase inhibitors such as N-[4-(6-Dibenzofuran-4-yl-pyrimidin-4-ylamino)-phenyl]-4-morpholin-4-yl-benzamide, used as anticasrcinogenic or antoproliferative agents, especially in the treatment of breast cancer BAYER SCHERING PHARMA AG (DE) 2011-02-01 US disclosed
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 EP disclosed
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ATLANTA PHARMA AG (DE) 2007-09-06 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-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors CDK2, DCK, DTYMK PTGS1 2191/4885PIP4K2C 52/4885P2RX1 1195/4885

“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.