Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4529413

CNc1nc(N)nc2cc(-c3ccc(SC)cc3)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 4/20 0.40
▸ PTPN1 P18031 4/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ TRIM58 Q8NG06 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ NLRP3 Q96P20 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ TARS1 P26639 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CLK4 Q9HAZ1 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 SCHEMBL4521203 0.91 DHFR (0.43) DHFRPTPN1TRIM58NLRP3HRH4
Trifluoroacetic Acid SCHEMBL4525618 0.89 DHFR (0.52) DHFRPTPN1TRIM58NLRP3HRH4
Trifluoroacetic Acid SCHEMBL4527839 0.89 NLRP3 (0.39) DHFRPTPN1TRIM58NLRP3HRH4
SCHEMBL4525495 0.89 DHFR (0.47) DHFRPTPN1CSF1RTRIM58NLRP3
Trifluoroacetic Acid SCHEMBL4528549 0.87 DHFR (0.50) DHFRPTPN1TRIM58HRH4TARS1
Trifluoroacetic Acid SCHEMBL4528055 0.83 MAP4K4 (0.43) DHFRPTPN1TRIM58GSK3BNLRP3
Trifluoroacetic Acid SCHEMBL4526540 0.81 PTPN1 (0.48) DHFRPTPN1TRIM58USP2TP53
Trifluoroacetic Acid SCHEMBL5499368 0.80 PTPN1 (0.39) DHFRPTPN1NLRP3USP2TP53
Trifluoroacetic Acid SCHEMBL4527903 0.80 DHFR (0.43) DHFRPTPN1TRIM58TARS1
Trifluoroacetic Acid SCHEMBL4526781 0.80 DHFR (0.43) DHFRPTPN1TRIM58HRH4TARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 — — EP claimed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 — — WO claimed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 — — US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 — — EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 — — US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 — — WO 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 (2 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885PTPN1 2/4885CSF1R 1180/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885PTPN1 2/4885CSF1R 1180/4885

“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.