Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2068008

COc1cccc(C(=O)N[C@@H]2CCN(C)[C@@H](c3nc4ccccc4[nH]3)C2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MCHR1 Q99705 3/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
GRM5 P41594 1/20 0.44
CCR3 P51677 1/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL9970054 0.94 SMN1; SMN2 (0.54) NPC1PKMRAB9ASMN1; SMN2MCHR1
Trifluoroacetic Acid SCHEMBL2067634 0.91 HTR2B (0.49) NPC1PKMRAB9ASMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL2068211 0.88 CXCR6 (0.42) NPC1RAB9ASMN1; SMN2MCHR1TSHR
Trifluoroacetic Acid SCHEMBL2067600 0.88 MCHR1 (0.47) NPC1RAB9ASMN1; SMN2MCHR1TSHR
Trifluoroacetic Acid SCHEMBL2066884 0.85 EPHX2 (0.45)
SCHEMBL9970053 0.85 HTR2B (0.55) NPC1PKMRAB9ASMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL2068117 0.84 NPC1 (0.46) NPC1RAB9A
SCHEMBL18536508 0.82 HTR2B (0.41)
SCHEMBL2067359 0.82 HTR2B (0.41)
SCHEMBL9970059 0.82 CXCR6 (0.46) NPC1RAB9ASMN1; SMN2MCHR1TSHR

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 NPC1 2444/4885PKM 349/4885RAB9A 1426/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 NPC1 2444/4885PKM 349/4885RAB9A 1426/4885

“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.