Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2068211

COc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](c3nc4ccccc4[nH]3)C2)cc1F.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
MCHR1 Q99705 2/20 0.41
CLK1 P49759 1/20 0.41
HTR2B P41595 1/20 0.41
GPR6 P46095 1/20 0.40
TSHR P16473 1/20 0.40
MAPK10 P53779 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTK2 Q05397 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
SCHEMBL9970059 0.95 CXCR6 (0.46) CXCR6SMN1; SMN2NPC1RAB9ATP53
Trifluoroacetic Acid SCHEMBL2067600 0.94 MCHR1 (0.47) CXCR6SMN1; SMN2NPC1RAB9ATP53
SCHEMBL9970038 0.89 MCHR1 (0.51) CXCR6SMN1; SMN2NPC1RAB9ATP53
Trifluoroacetic Acid SCHEMBL2067634 0.88 HTR2B (0.49) SMN1; SMN2NPC1RAB9AHTR2B
Trifluoroacetic Acid SCHEMBL2068008 0.88 NPC1 (0.49) SMN1; SMN2NPC1RAB9AMCHR1TSHR
Trifluoroacetic Acid SCHEMBL2066884 0.86 EPHX2 (0.45) HTR2B
SCHEMBL18536508 0.83 HTR2B (0.41) HTR2B
SCHEMBL2067359 0.83 HTR2B (0.41) HTR2B
Trifluoroacetic Acid SCHEMBL2068117 0.83 NPC1 (0.46) NPC1RAB9AHTR2BGPR6
SCHEMBL9970053 0.82 HTR2B (0.55) SMN1; SMN2NPC1RAB9AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 EP disclosed
EP-2170860-B1 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2016-11-02 EP disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 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-20090005416-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 CXCR6 2903/4885SMN1; SMN2 1764/4885NPC1 2444/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 CXCR6 2903/4885SMN1; SMN2 1764/4885NPC1 2444/4885

“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.