Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL381863

O=C(O)C(F)(F)F.O=C1[C@H](Cc2c(Cl)cc(-c3ccc(OC(F)(F)F)cc3)cc2Cl)CCN1C1CCNCC1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
P2RY14 Q15391 1/20 0.38
HTR2C P28335 1/20 0.36
FFAR4 Q5NUL3 7/20 0.36
DRD3 P35462 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
EPHX1 P07099 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
HSD11B1 P28845 1/20 0.34
CNR1 P21554 1/20 0.34
PTGS2 P35354 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
SCHEMBL3563833 0.95 AKR1C2 (0.38) AKR1C2AKR1C1P2RY14HTR2CCHRM2
SCHEMBL3563830 0.95 AKR1C2 (0.38) AKR1C2AKR1C1P2RY14HTR2CCHRM2
Trifluoroacetic Acid SCHEMBL381532 0.91 PRCP (0.38) HTR2CCHRM2CHRM1CHRM3HSD11B1
Trifluoroacetic Acid SCHEMBL381380 0.90 TP53 (0.39) AKR1C2AKR1C1P2RY14CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL381484 0.89 P2RY14 (0.37) P2RY14DRD3CHRM2CHRM5HSD11B1
Trifluoroacetic Acid SCHEMBL380699 0.89 FFAR4 (0.35) FFAR4
Trifluoroacetic Acid SCHEMBL381517 0.88 PAX8 (0.35) P2RY14CHRM2CHRM1CHRM3HSD11B1
Trifluoroacetic Acid SCHEMBL380865 0.83 S1PR5 (0.38) CHRM3HSD11B1CNR1
Trifluoroacetic Acid SCHEMBL380667 0.83 RAD52 (0.39) CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL381002 0.83 L3MBTL1 (0.39) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049513-B1 PIPERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-01-25 EP disclosed
US-7829582-B2 Piperidinyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-11-09 US disclosed
EP-2049513-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Eli Lilly & Company (US) 2009-04-22 EP disclosed
US-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 US disclosed
WO-2007127901-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 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 (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-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 AKR1C2 93/4885AKR1C1 71/4885P2RY14 3160/4885

“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.