Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3602182

Cc1c(C(=O)N[C@@H]2CCNC2)[nH]c2ccc(Cl)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.56
EGFR P00533 3/20 0.48
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CDK2 P24941 3/20 0.44
CNR1 P21554 2/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CDK4 P11802 1/20 0.41
CDK5 Q00535 1/20 0.41
JAK2 O60674 1/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
PAK4 O96013 1/20 0.40
RAB9A P51151 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
SCHEMBL3604351 0.93 PTGS2 (0.63) PTGS2EGFRMAPTLMNATHRB
SCHEMBL3604347 0.93 PTGS2 (0.63) PTGS2EGFRMAPTLMNATHRB
Trifluoroacetic Acid SCHEMBL3613647 0.90 ADORA1 (0.47) PTGS2MAPTLMNASMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL3607518 0.90 ADORA1 (0.47) PTGS2MAPTLMNASMN1; SMN2MEN1
SCHEMBL3610471 0.87 PTGS2 (0.67) PTGS2EGFRMAPTLMNATHRB
SCHEMBL3610473 0.87 PTGS2 (0.67) PTGS2EGFRMAPTLMNATHRB
Trifluoroacetic Acid SCHEMBL3606315 0.86 MAOA (0.49) PTGS2MAPTLMNAMEN1KMT2A
Trifluoroacetic Acid SCHEMBL3597229 0.86 MAOA (0.49) PTGS2MAPTLMNAMEN1KMT2A
SCHEMBL3602954 0.82 ADORA1 (0.53) PTGS2MAPTLMNASMN1; SMN2MEN1
SCHEMBL3602952 0.82 ADORA1 (0.53) PTGS2MAPTLMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT PTGS2 356/4885EGFR 3189/4885MAPT 3376/4885

“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.