Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL589692

COC(=O)[C@@H]1C[C@@H](N)CN1c1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1[S+]([O-])CC2.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 3/20 0.32
▸ SLC2A1 P11166 1/20 0.30
▸ C1S P09871 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL4071829 0.95 MAPT (0.35) SMN1; SMN2MAPTLMNATP53
Trifluoroacetic Acid SCHEMBL2672126 0.92 C1S (0.32) C1S
Trifluoroacetic Acid SCHEMBL9902969 0.89 MAPT (0.31) SMN1; SMN2MAPTSLC2A1
SCHEMBL4072249 0.86 MAPT (0.34) SMN1; SMN2MAPTLMNATP53
SCHEMBL590375 0.86 MAPT (0.37) SMN1; SMN2MAPTLMNATP53
Trifluoroacetic Acid SCHEMBL2672359 0.80 — —
SCHEMBL4063471 0.79 CNR1 (0.39) SMN1; SMN2MAPTLMNA
Trifluoroacetic Acid SCHEMBL589362 0.78 FFAR1 (0.34) SMN1; SMN2C1S
Trifluoroacetic Acid SCHEMBL589653 0.78 FFAR1 (0.34) SMN1; SMN2C1S
Trifluoroacetic Acid SCHEMBL589361 0.78 FFAR1 (0.34) SMN1; SMN2C1S

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-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
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 — — 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 SMN1; SMN2 797/4885MAPT 2510/4885SLC2A1 2241/4885

“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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