Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7067787

NCc1ccc2[nH]c(Cc3nc4cc(C(=O)NCCCCc5ccccc5)ccc4[nH]3)nc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.49
HDAC6 Q9UBN7 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP3A4 P08684 2/20 0.42
NAMPT P43490 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP1A2 P05177 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDE P14735 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL7400914 0.95 HDAC6 (0.49) MLYCDHDAC6POLBHTTALDH1A1
SCHEMBL7069769 0.92 POLB (0.50) MLYCDHDAC6POLBHTTALDH1A1
SCHEMBL7068309 0.88 NAMPT (0.50) HDAC6POLBALDH1A1HPGDKDM4E
SCHEMBL7073351 0.84 FLT3 (0.46) HDAC6POLBHTTALDH1A1KDM4E
SCHEMBL7075759 0.83 FLT3 (0.49) POLBHTTALDH1A1KDM4E
SCHEMBL7070258 0.82 PLAU (0.53) HDAC6POLBALDH1A1HPGDKDM4E
SCHEMBL7075818 0.81 NPC1 (0.55) POLBHTTALDH1A1HPGDMAPT
SCHEMBL7074425 0.81 ALDH1A1 (0.46) POLBHTTALDH1A1MAPTCYP1A2
SCHEMBL7067791 0.81 MLYCD (0.41) MLYCDHDAC6POLBHTTALDH1A1
SCHEMBL7071815 0.80 ALDH1A1 (0.44) HDAC6POLBHTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 MLYCD 2630/4885HDAC6 379/4885POLB 2637/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 MLYCD 1079/4885HDAC6 709/4885POLB 2297/4885

“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.