Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4666829

C[C@@](N)(C(N)=O)C(=O)c1ccncc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 1/20 0.41
▸ PLOD3 O60568 1/20 0.41
▸ PLOD1 Q02809 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL5649378 0.90 LMNA (0.44) NAPRTKDM4ELMNAPKMMAPT
SCHEMBL4667987 0.90 LMNA (0.44) NAPRTKDM4ELMNAPKMMAPT
SCHEMBL5649382 0.90 LMNA (0.44) NAPRTKDM4ELMNAPKMMAPT
Hydrochloric Acid SCHEMBL4666292 0.89 LMNA (0.43) NAPRTKDM4ELMNAPKMMAPT
Hydrochloric Acid SCHEMBL4666865 0.89 LMNA (0.43) NAPRTKDM4ELMNAPKMMAPT
Hydrochloric Acid SCHEMBL4666289 0.89 LMNA (0.43) NAPRTKDM4ELMNAPKMMAPT
Trifluoroacetic Acid SCHEMBL4664309 0.82 LMNA (0.51) PLOD2PLOD3PLOD1LMNACYP1A2
Trifluoroacetic Acid SCHEMBL3614047 0.78 PLOD2 (0.50) PLOD2PLOD3PLOD1NAPRTKDM4E
Trifluoroacetic Acid SCHEMBL6276036 0.78 PLOD2 (0.50) PLOD2PLOD3PLOD1NAPRTKDM4E
Trifluoroacetic Acid SCHEMBL1515530 0.75 SLC22A12 (0.43) PLOD2PLOD3PLOD1NAPRTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 — — US claimed
US-7144897-B2 Hydroxy alkyl amines Elan Oharmaceuticals, Inc. (US) 2006-12-05 — — US claimed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 — — US claimed
EP-1395551-B1 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES ELAN PHARM INC (US) 2008-05-21 — — EP disclosed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 — — US disclosed
US-7144897-B2 Hydroxy alkyl amines Elan Oharmaceuticals, Inc. (US) 2006-12-05 — — US disclosed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 — — 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-20030166717-A1 Hydroxy alkyl amines PSEN1, MAOA, PSEN2 PLOD2 2168/4885PLOD3 1506/4885PLOD1 2203/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 PLOD2 2075/4885PLOD3 1193/4885PLOD1 2542/4885

“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.