Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2210097

O=C(CCCOc1ccc(-c2csc(N3CCNCC3)n2)cc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
SIGMAR1 Q99720 2/20 0.43
UTS2R Q9UKP6 2/20 0.42
CCR1 P32246 3/20 0.42
CCR3 P51677 3/20 0.42
CHEK2 O96017 1/20 0.41
MCHR1 Q99705 5/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL12511625 0.95 PDE3B (0.47) PDE3BPDE3ASIGMAR1UTS2RCCR1
Trifluoroacetic Acid SCHEMBL2208289 0.94 PDE3B (0.45) PDE3BPDE3ASIGMAR1UTS2RCCR1
Trifluoroacetic Acid SCHEMBL2213092 0.93 HRH3 (0.45) PDE3BPDE3ASIGMAR1UTS2RCCR1
Trifluoroacetic Acid SCHEMBL6633744 0.93 HRH3 (0.45) PDE3BPDE3ASIGMAR1UTS2RCCR1
Trifluoroacetic Acid SCHEMBL2214526 0.93 AR (0.45) PDE3BPDE3ASIGMAR1UTS2RCCR1
Trifluoroacetic Acid SCHEMBL2212560 0.92 UTS2R (0.44) PDE3BPDE3ASIGMAR1UTS2RCCR1
Trifluoroacetic Acid SCHEMBL2210103 0.90 UTS2R (0.43) SIGMAR1UTS2RCCR3CHEK2MCHR1
Trifluoroacetic Acid SCHEMBL2211174 0.90 PDE3B (0.42) PDE3BPDE3ASIGMAR1UTS2RCCR1
Trifluoroacetic Acid SCHEMBL2213021 0.90 UTS2R (0.43) PDE3BPDE3ASIGMAR1UTS2RCCR1
SCHEMBL12511629 0.89 UTS2R (0.48) PDE3BPDE3ASIGMAR1UTS2RCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389616-B1 3,4-Dihalobenzylpiperidine derivatives and their medical use MITSUBISHI TANABE PHARMA CORP (JP) 2011-07-27 EP disclosed
US-7115635-B2 Benzylpiperidine compound MITSUBISHI PHARMA CORPORATION (JP) 2006-10-03 US disclosed
US-20040158071-A1 Chemokine inhibitors and stability in blood MITSUBISHI PHARMA CORPORATION (JP) 2004-08-12 US disclosed
EP-1389616-A1 NOVEL BENZYLPIPERIDINE COMPOUND Mitsubishi Pharma Corporation (JP) 2004-02-18 EP 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-20040158071-A1 Chemokine inhibitors and stability in blood CCL2, CXCR1, CCR5 PDE3B 59/4885PDE3A 121/4885SIGMAR1 2000/4885

“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.