Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2265017

CN1CCCCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ HRH4 Q9H3N8 2/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CXCR2 P25025 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ MLYCD O95822 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33

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
N-Methylpiperidine SCHEMBL2071509 1.00 ALDH1A1 (0.38) ALDH1A1HRH4HRH3LMNACYP1A2
N-Methylpiperidine SCHEMBL2071510 1.00 ALDH1A1 (0.38) ALDH1A1HRH4HRH3LMNACYP1A2
N-Methylpiperidine SCHEMBL2072770 1.00 ALDH1A1 (0.38) ALDH1A1HRH4HRH3LMNACYP1A2
Trifluoroacetic Acid SCHEMBL931484 0.98 HRH4 (0.38) ALDH1A1HRH4HRH3LMNACYP1A2
Trifluoroacetic Acid SCHEMBL2265475 0.98 HRH4 (0.38) ALDH1A1HRH4HRH3LMNACYP1A2
Trifluoroacetic Acid SCHEMBL2265470 0.98 HRH4 (0.38) ALDH1A1HRH4HRH3LMNACYP1A2
Trifluoroacetic Acid SCHEMBL2265273 0.90 HRH4 (0.39) ALDH1A1HRH4HRH3LMNACYP1A2
Trifluoroacetic Acid SCHEMBL23292174 0.87 CYP1A2 (0.46) ALDH1A1HRH4HRH3LMNACYP1A2
N-Methylpiperidine SCHEMBL7712917 0.81 ALDH1A1 (0.48) ALDH1A1HRH3LMNACYP1A2TDP1
N-Methylpiperidine SCHEMBL3145445 0.79 CYP1A2 (0.48) ALDH1A1LMNACYP1A2TDP1MAPK1

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-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-18 — — US disclosed
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-11-05 — — 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-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 ALDH1A1 325/4885HRH4 3505/4885HRH3 1564/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 ALDH1A1 325/4885HRH4 3505/4885HRH3 1564/4885

“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.