Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4530122

Cc1nc(N)nc(N)c1-c1ccc(-c2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.47
HEXA P06865 2/20 0.47
HEXB P07686 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
HCRTR1 O43613 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
GHSR Q92847 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
SCHEMBL3500167 0.84 DHFR (0.61) DHFRHEXAHEXBSMN1; SMN2KDM4E
SCHEMBL9289229 0.76 ALDH1A1 (0.55) DHFRHEXAHEXBSMN1; SMN2KDM4E
SCHEMBL12368258 0.75 HEXA (0.47) DHFRHEXAHEXBSMN1; SMN2KDM4E
SCHEMBL1885367 0.74 HEXA (0.50) DHFRHEXAHEXBSMN1; SMN2ALDH1A1
SCHEMBL12368257 0.74 HEXA (0.64) DHFRHEXAHEXBSMN1; SMN2ALDH1A1
SCHEMBL27459436 0.74 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ENPC1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL1889973 0.73 HEXA (0.49) DHFRHEXAHEXBSMN1; SMN2ALDH1A1
Biphenyl-4-Amine SCHEMBL7061324 0.72 CYP3A4 (0.62) SMN1; SMN2KDM4ENPC1ALDH1A1TP53
Biphenyl SCHEMBL27806523 0.72 CES1 (0.50) SMN1; SMN2ALDH1A1MAPT
SCHEMBL7162150 0.72 DHFR (0.66) DHFRHEXAHEXBSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 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 (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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B DHFR 1058/4885HEXA 748/4885HEXB 352/4885

“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.