Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4486993

Cc1c(Br)cccc1CNc1nc(N)c([N+](=O)[O-])c(CC2CCC(N)CC2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
PRKCQ Q04759 5/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 2/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
VCP P55072 1/20 0.33
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4492865 0.93 PRKCQ (0.40) SMN1; SMN2PRKCQMAPTLMNAHPGD
SCHEMBL4477805 0.84 PRKCQ (0.49) SMN1; SMN2PRKCQMAPTLMNAHPGD
SCHEMBL4479124 0.83 PRKCQ (0.50) SMN1; SMN2PRKCQMAPTLMNAHPGD
SCHEMBL6000077 0.81 PRKCQ (0.48) PRKCQCYP3A4CYP2C9
SCHEMBL4484863 0.81 PRKCQ (0.47) SMN1; SMN2PRKCQMAPTLMNAHPGD
SCHEMBL4477890 0.80 PRKCQ (0.52) SMN1; SMN2PRKCQMAPTLMNAHPGD
SCHEMBL4479981 0.80 PRKCQ (0.42) SMN1; SMN2PRKCQMAPTLMNAHPGD
SCHEMBL4471148 0.79 PRKCQ (0.49) PRKCQMAPTLMNAPOLBKMT2A
SCHEMBL4475219 0.79 PRKCQ (0.47) SMN1; SMN2PRKCQMAPTLMNAHPGD
SCHEMBL4475836 0.78 PRKCQ (0.40) PRKCQMAPTLMNAPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 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 (3 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH SMN1; SMN2 3820/4885PRKCQ 2/4885MAPT 3483/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH SMN1; SMN2 3820/4885PRKCQ 2/4885MAPT 3483/4885
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta PRKCQ, PRKCZ, PRKAR2B SMN1; SMN2 3851/4885PRKCQ 1/4885MAPT 3366/4885

“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.