Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14936263

COc1ccc(-c2cc(=O)[nH]c(=S)n2CCNC(=O)[C@H](C)N)c(OC)c1.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 7/20 0.60
▸ TPO P07202 1/20 0.41
▸ ADORA3 P0DMS8 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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 SCHEMBL14936273 1.00 MPO (0.60) MPOTPOADORA3KDM4ESMN1; SMN2
SCHEMBL14947085 0.94 MPO (0.67) MPOTPOADORA3KDM4ESMN1; SMN2
SCHEMBL14947084 0.94 MPO (0.67) MPOTPOADORA3KDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL14936584 0.94 MPO (0.58) MPOTPOADORA3KDM4ESMN1; SMN2
SCHEMBL14947088 0.87 MPO (0.65) MPOTPOADORA3KDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL14936275 0.87 MPO (0.61) MPOTPOKDM4ESMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL14936265 0.87 MPO (0.61) MPOTPOKDM4ESMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL14936585 0.85 MPO (0.59) MPOTPOKDM4ESMN1; SMN2ALDH1A1
SCHEMBL14947161 0.85 MPO (0.79) MPOTPOADORA3KDM4EMAPT
SCHEMBL14947076 0.83 MPO (0.73) MPOTPOKDM4ESMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873673-B2 2-thiopyrimidinones PFIZER INC. (US) 2018-01-23 — — US disclosed
US-20160304469-A1 2-Thiopyrimidinones PFIZER INC. (US) 2016-10-20 — — US disclosed
US-9399626-B2 2-thiopyrimidinones PFIZER INC. (US) 2016-07-26 — — US disclosed
US-20140288049-A1 2-Thiopyrimidinones PFIZER (US) 2014-09-25 — — US disclosed
US-8841314-B2 2-Thiopyrimidinones PFIZER INC. (US) 2014-09-23 — — US disclosed
US-8835449-B2 2-thiopyrimidinones PFIZER INC. (US) 2014-09-16 — — US disclosed
US-20130296351-A1 2-Thiopyrimidinones PFIZER INC. 2013-11-07 — — US disclosed
US-20130123230-A1 2-Thiopyrimidinones PFIZER INC. 2013-05-16 — — 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 (4 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-20130123230-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885ADORA3 4526/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885ADORA3 4526/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885ADORA3 4526/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885ADORA3 4526/4885

“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.

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