Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5453842

CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)C(C)(C)C1.O=C(O)C(F)(F)F

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.88
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
NR1I2 O75469 2/20 0.45

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
SCHEMBL4492381 0.94 CCR1 (1.00) CCR1LMNATSHRKMT2ANR1I2
SCHEMBL4492389 0.94 CCR1 (1.00) CCR1LMNATSHRKMT2ANR1I2
Trifluoroacetic Acid SCHEMBL5460375 0.84 CCR1 (0.64) CCR1
SCHEMBL4507643 0.80 CCR1 (0.74) CCR1
SCHEMBL4507638 0.80 CCR1 (0.74) CCR1
Trifluoroacetic Acid SCHEMBL5451754 0.80 CCR1 (0.56) CCR1
Trifluoroacetic Acid SCHEMBL5451751 0.79 CCR1 (0.61) CCR1
SCHEMBL4503484 0.78 CCR1 (0.72) CCR1
SCHEMBL4503478 0.78 CCR1 (0.72) CCR1
SCHEMBL4497465 0.77 CCR1 (0.67) CCR1KMT2ANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 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 (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-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 CCR1 3/4885LMNA 4043/4885TSHR 357/4885

“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.