Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL15400059

CN(C)C(=O)c1ccc(N2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)[S+]([O-])CC4)CC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SCN9A Q15858 7/20 0.38
▸ POLB P06746 1/20 0.38
▸ WHR1 P49842 1/20 0.37
▸ HTR2C P28335 2/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ BTK Q06187 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ TEC P42680 1/20 0.35
▸ SLK Q9H2G2 1/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL589865 0.95 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2SCN9A
SCHEMBL588838 0.88 MEN1 (0.42) MAPTMEN1KMT2ASMN1; SMN2SCN9A
Trifluoroacetic Acid SCHEMBL17019867 0.84 WHR1 (0.36) SCN9AWHR1HTR2CHTR2ASLC2A1
Trifluoroacetic Acid SCHEMBL591049 0.84 JAK2 (0.41) SCN9ABTKSLC2A1
SCHEMBL591054 0.82 TRPV1 (0.41) MAPTMEN1KMT2ASMN1; SMN2SCN9A
SCHEMBL589249 0.82 CCNT1 (0.41) MAPTMEN1KMT2ASMN1; SMN2POLB
Trifluoroacetic Acid SCHEMBL17019873 0.82 WHR1 (0.35) MEN1KMT2ASCN9APOLBWHR1
SCHEMBL588906 0.81 HTR2C (0.41) MAPTMEN1KMT2ASMN1; SMN2SCN9A
Trifluoroacetic Acid SCHEMBL589894 0.81 C1S (0.42) MAPTMEN1KMT2ASMN1; SMN2SCN9A
Trifluoroacetic Acid SCHEMBL17019876 0.81 TRPV1 (0.37) MEN1KMT2ASCN9AWHR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-02 — — 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 (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-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases DPYD, TYMS, TPMT MAPT 2510/4885MEN1 3861/4885KMT2A 4366/4885

“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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