Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5440448

COc1cc(Cl)c(N2CCN(C(=O)[C@H](NC(=O)Cc3ccncc3)C(C)C)CC2)cc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
MC4R P32245 1/20 0.39
THRB P10828 1/20 0.39
RORC P51449 1/20 0.39
GRM5 P41594 3/20 0.38
P2RY12 Q9H244 1/20 0.38
SLC2A1 P11166 1/20 0.38
CYP3A4 P08684 1/20 0.38
UGCG Q16739 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4489786 0.94 CCR1 (0.44) CCR1KMT2AALDH1A1LMNAHTT
SCHEMBL4489789 0.94 CCR1 (0.44) CCR1KMT2AALDH1A1LMNAHTT
Trifluoroacetic Acid SCHEMBL5444922 0.89 LMNA (0.47) CCR1KMT2AALDH1A1LMNAHTT
SCHEMBL4489758 0.82 LMNA (0.50) CCR1KMT2AALDH1A1LMNAHTT
SCHEMBL4489756 0.82 LMNA (0.50) CCR1KMT2AALDH1A1LMNAHTT
Trifluoroacetic Acid SCHEMBL4508906 0.79 CCR1 (0.58) CCR1KMT2AALDH1A1LMNAHTT
SCHEMBL15164212 0.77 GRM5 (0.52) KMT2AALDH1A1LMNANPSR1GRM5
Trifluoroacetic Acid SCHEMBL5444973 0.76 KMT2A (0.52) CCR1KMT2AALDH1A1LMNAHTT
SCHEMBL13606408 0.73 CCR1 (0.64) CCR1KMT2AALDH1A1LMNAHTT
SCHEMBL4487454 0.69 KMT2A (0.55) CCR1KMT2AALDH1A1LMNANPSR1

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 3/4885KMT2A 2333/4885ALDH1A1 1198/4885

“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.