Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3556372

C1OCOCO1.CNc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.41
CHIT1 Q13231 1/20 0.41
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40
CES1 P23141 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36

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
Trifluoroacetic Acid SCHEMBL584478 0.89 TSHR (0.61) TSHRL3MBTL1CHIT1PDK1PDK2
Trifluoroacetic Acid SCHEMBL9333894 0.89 TSHR (0.61) TSHRL3MBTL1CHIT1PDK1PDK2
Trifluoroacetic Acid SCHEMBL29059043 0.74 NPC1 (0.44) TSHRCHIT1HSD17B10TP53SMN1; SMN2
Trifluoroacetic Acid SCHEMBL27939406 0.74 ALOX5 (0.48) TSHRCHIT1PDK1PDK2PDK3
Trifluoroacetic Acid SCHEMBL584210 0.74 MAPT (0.49) L3MBTL1CES1HDAC1HDAC7HDAC8
Trichloroacetic Acid SCHEMBL3973964 0.74 TSHR (0.61) TSHRPDK1PDK2PDK3PDK4
Trifluoroacetic Acid SCHEMBL11500234 0.73 CHIT1 (0.42) TSHRCHIT1PDK1PDK2PDK3
Diphenylamine SCHEMBL31175857 0.73 HSD17B10 (0.57) TSHRL3MBTL1CES1HSD17B10PAX8
Trifluoroacetic Acid SCHEMBL21177989 0.73 EPHX2 (0.46) TSHRTP53EPHX2SMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL28860217 0.73 TRPV1 (0.47) TSHRHSD17B10HDAC1HDAC7HDAC8

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-7696356-B2 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one and ondansetron therefrom TARO PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2010-04-13 US disclosed
US-20060041004-A1 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one and ondansetron therefrom TARO PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2006-02-23 US disclosed
WO-2006018846-A2 PROCESS FOR PREPARING 1,2,3,9-TETRAHYDRO-9-METHYL-3-METHYLENE-4H- CARBAZOL-4-ONE AND ONDANSETRON THEREFROM TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-02-23 WO 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-20060041004-A1 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one and ondansetron therefrom HTR3A, ADORA3, HTR4 TSHR 2289/4885L3MBTL1 4367/4885CHIT1 1811/4885

“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.