Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL31069765

NC(=O)c1ccccc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KDM4E B2RXH2 4/20 0.47
KLK1 P06870 1/20 0.46
KLK5 Q9Y337 1/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 2/20 0.46
PBRM1 Q86U86 1/20 0.46
HPGD P15428 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL263770 0.86 CES2 (0.65) ALDH1A1CES2CES1KDM4EKMT2A
SCHEMBL29843413 0.86 CES2 (0.65) ALDH1A1CES2CES1KDM4EKMT2A
Trifluoroacetic Acid SCHEMBL7431372 0.86 TSHR (0.56) ALDH1A1KDM4EKLK1KLK5KMT2A
Hydrochloric Acid SCHEMBL404721 0.84 CES2 (0.62) ALDH1A1CES2CES1KDM4EKMT2A
SCHEMBL4873515 0.84 CES2 (0.62) ALDH1A1CES2CES1KDM4EKMT2A
Hydrochloric Acid SCHEMBL4373213 0.84 CES2 (0.62) ALDH1A1CES2CES1KDM4EKMT2A
Acetic Acid SCHEMBL29291113 0.82 ALDH1A1 (0.59) ALDH1A1CES2CES1KDM4EKMT2A
Hydrochloric Acid SCHEMBL4100055 0.82 CES2 (0.60) ALDH1A1CES2CES1KDM4EKMT2A
Benzamide SCHEMBL9171626 0.81 POLB (0.64) ALDH1A1CES2CES1KDM4EKMT2A
SCHEMBL3946947 0.80 CES2 (0.58) ALDH1A1CES2CES1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382457-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS PHARMA AG (CH) 2024-11-21 US disclosed
US-12083101-B2 Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors NOVARTIS AG (CH) 2024-09-10 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-12083101-B2 Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors YAP1, TEAD3, TEAD2 ALDH1A1 3440/4885CES2 4433/4885CES1 3078/4885
US-20240382457-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS YAP1, TEAD3, TEAD2 ALDH1A1 3440/4885CES2 4433/4885CES1 3078/4885

“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.