Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4508906

COc1cc(N2CCN(C(=O)[C@H](NC(=O)c3ccccc3)C(C)C)CC2)c(Cl)cc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.58
KMT2A Q03164 3/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 2/20 0.51
KCNH2 Q12809 1/20 0.47
NPC1 O15118 1/20 0.47
P2RY12 Q9H244 1/20 0.45
MAPT P10636 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
SCHEMBL13606408 0.94 CCR1 (0.64) CCR1KMT2ALMNAALDH1A1HTT
Trifluoroacetic Acid SCHEMBL5444973 0.84 KMT2A (0.52) CCR1KMT2ALMNAALDH1A1HTT
Trifluoroacetic Acid SCHEMBL5444922 0.84 LMNA (0.47) CCR1KMT2ALMNAALDH1A1HTT
SCHEMBL4508912 0.80 NPSR1 (0.45) CCR1KMT2ALMNAALDH1A1NPSR1
Trifluoroacetic Acid SCHEMBL5440448 0.79 CCR1 (0.42) CCR1KMT2ALMNAALDH1A1HTT
SCHEMBL5049313 0.79 NPSR1 (0.45) KMT2ALMNAALDH1A1NPSR1MAPT
SCHEMBL4487454 0.77 KMT2A (0.55) CCR1KMT2ALMNAALDH1A1NPSR1
SCHEMBL4487457 0.77 KMT2A (0.55) CCR1KMT2ALMNAALDH1A1NPSR1
SCHEMBL4489758 0.76 LMNA (0.50) CCR1KMT2ALMNAALDH1A1HTT
SCHEMBL4489756 0.76 LMNA (0.50) CCR1KMT2ALMNAALDH1A1HTT

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
US-8609664-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2013-12-17 US disclosed
EP-1973880-B1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-08-07 EP disclosed
US-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-7615556-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-10 US disclosed
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 (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-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 CCR1 3/4885KMT2A 2333/4885LMNA 4043/4885
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 CCR1 3/4885KMT2A 2333/4885LMNA 4043/4885

“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.