Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5880540

CC(N)c1cncn1Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 9/20 0.48
▸ CYP11B2 P19099 9/20 0.48
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RAD52 P43351 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ GNRHR P30968 2/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL27388451 0.78 CYP11B1 (0.54) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL9092542 0.78 CYP11B1 (0.54) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
Trifluoroacetic Acid SCHEMBL5880541 0.77 CYP11B1 (0.58) CYP11B1CYP11B2IDO1GAAPKM
SCHEMBL6774868 0.76 CYP11B1 (0.54) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL15458790 0.76 CYP11B1 (0.57) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL27316522 0.74 CYP11B1 (0.60) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL10790711 0.73 CYP11B1 (0.54) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL9092959 0.73 CYP11B1 (0.52) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL27306308 0.73 CYP11B1 (0.52) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL27388454 0.72 CYP11B1 (0.50) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091200-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX U.S.A. LLC (US) 2006-08-15 — — US disclosed
US-6900220-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-05-31 — — US disclosed
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists BECKER CYRUS K (US) 2005-05-19 — — US disclosed
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC 2003-04-10 — — 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 (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-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B CYP11B1 81/4885CYP11B2 89/4885HSP90AA1 2480/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B CYP11B1 82/4885CYP11B2 86/4885HSP90AA1 2533/4885

“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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