Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL518486

O=C(O)C(F)(F)F.O=C(c1ccccc1C(F)(F)F)N1CC2=C(CNC2)C1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR2B P41595 1/20 0.48
MAPK14 Q16539 1/20 0.48
SCD O00767 5/20 0.44
MGLL Q99685 2/20 0.43
HSD11B1 P28845 1/20 0.42
P2RX7 Q99572 2/20 0.41
CCR5 P51681 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL1921758 0.95 CYP2C9 (0.49) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL518633 0.82 CYP2C9 (0.53) CYP2C9CYP2C19HTR2BMAPK14SCD
Trifluoroacetic Acid SCHEMBL27703342 0.81 CYP2C9 (0.56) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL25305 0.75 RXFP1 (0.60) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL29943572 0.75 RXFP1 (0.60) CYP2C9CYP2C19HTR2BMAPK14SCD
Hydrochloric Acid SCHEMBL25425 0.73 RXFP1 (0.59) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL4262448 0.73 CYP2C9 (0.63) CYP2C9CYP2C19HTR2BMAPK14SCD
Trifluoroacetic Acid SCHEMBL1222403 0.73 CYP2C9 (0.56) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL7934516 0.73 NPY2R (0.46) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL10304326 0.71 CYP2C9 (0.60) CYP2C9CYP2C19HTR2BMAPK14SCD

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-2328898-B1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI SA (FR) 2014-12-24 EP disclosed
US-8673917-B2 2-heteroaryl-pyrrolo [3,4-C]pyrrole derivatives, and use thereof as SCD inhibitors SANOFI (FR) 2014-03-18 US disclosed
US-20120028986-A1 2-HETEROARYL-PYRROLO [3,4-C]PYRROLE DERIVATIVES, AND USE THEREOF AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2012-02-02 US disclosed
EP-2328898-A1 2-HETEROARYL-PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THE USE THEREOF AS SCD INHIBITORS Sanofi-aventis (FR) 2011-06-08 EP disclosed
WO-2010028761-A1 2-HETEROARYL-PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THE USE THEREOF AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 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 (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-20120028986-A1 2-HETEROARYL-PYRROLO [3,4-C]PYRROLE DERIVATIVES, AND USE THEREOF AS SCD INHIBITORS SCD, SCD5, PC CYP2C9 692/4885CYP2C19 566/4885HTR2B 2977/4885

“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.