Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2067600

COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](c3nc4ccccc4[nH]3)C2)ccc1F.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.47
CXCR6 O00574 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTK2 Q05397 3/20 0.41
HTR2B P41595 1/20 0.41
TSHR P16473 1/20 0.40
MAPK10 P53779 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9970038 0.95 MCHR1 (0.51) MCHR1CXCR6NPC1RAB9ATP53
Trifluoroacetic Acid SCHEMBL2068211 0.94 CXCR6 (0.42) MCHR1CXCR6NPC1RAB9ATP53
SCHEMBL9970059 0.89 CXCR6 (0.46) MCHR1CXCR6NPC1RAB9ATP53
Trifluoroacetic Acid SCHEMBL2067634 0.88 HTR2B (0.49) NPC1RAB9ASMN1; SMN2HTR2B
Trifluoroacetic Acid SCHEMBL2068008 0.88 NPC1 (0.49) MCHR1NPC1RAB9ASMN1; SMN2TSHR
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) NPC1RAB9AHTR2B
SCHEMBL9970053 0.82 HTR2B (0.55) NPC1RAB9ASMN1; SMN2HTR2B

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 MCHR1 3820/4885CXCR6 2903/4885NPC1 2444/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 MCHR1 3820/4885CXCR6 2903/4885NPC1 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.