Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3695832

CN1CCN(C(c2ccc(F)cc2)c2cc(-c3ccc4[nH]ccc4c3)co2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.41
▸ WDR5 P61964 1/20 0.39
▸ DPP8 Q6V1X1 7/20 0.37
▸ DPP7 Q9UHL4 9/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ P4HB P07237 1/20 0.36
▸ TNIK Q9UKE5 1/20 0.35
▸ DPP4 P27487 6/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ MAP3K11 Q16584 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
SCHEMBL27713722 0.92 CYP19A1 (0.41) PTGS2WDR5CYP19A1CREBBPP4HB
SCHEMBL3699243 0.92 CYP19A1 (0.41) PTGS2WDR5CYP19A1CREBBPP4HB
SCHEMBL3695384 0.81 CYP19A1 (0.42) PTGS2CYP19A1P4HBTNIKMAP3K11
SCHEMBL27731730 0.78 DYRK1A (0.34) DPP8DPP7P4HBMAPTHTT
SCHEMBL3696646 0.78 DYRK1A (0.34) DPP8DPP7P4HBMAPTHTT
SCHEMBL3691597 0.77 EGFR (0.42) P4HBTNIKMAP3K11
Acetic Acid SCHEMBL3700474 0.77 PTGS2 (0.43) PTGS2WDR5CYP19A1P4HBTNIK
SCHEMBL3703434 0.77 CYP19A1 (0.45) PTGS2CYP19A1P4HB
SCHEMBL3695528 0.77 CYP19A1 (0.43) PTGS2WDR5CYP19A1P4HBTNIK
Acetic Acid SCHEMBL3693595 0.75 CYP19A1 (0.41) PTGS2WDR5CYP19A1P4HBTNIK

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
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 — — EP claimed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US claimed
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 — — EP disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
US-7618650-B2 Combination of a hypnotic agent and substituted bis aryl and heteroaryl compound and therapeutic application thereof AVENTIS PHARMACEUTICALS INC (US) 2009-11-17 — — US disclosed
EP-1928442-B1 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA INC (US) 2009-11-04 — — EP disclosed
US-20080138413-A1 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 — — US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — 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-20080138413-A1 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF HCRTR1, HCRTR2, MTNR1B PTGS2 1464/4885WDR5 1599/4885DPP8 4496/4885
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C PTGS2 1664/4885WDR5 1132/4885DPP8 3798/4885

“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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