Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5359387

Cc1ccc(NC(=O)Nc2nc(CN(C)C(C)C)cs2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.50
▸ MEN1 O00255 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ LMNA P02545 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ POLB P06746 4/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 1/20 0.39

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
SCHEMBL5218299 0.93 MAPT (0.53) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5214312 0.87 MAPT (0.50) MAPTMEN1KMT2ALMNATP53
SCHEMBL5328567 0.82 MAPT (0.46) MAPTMEN1KMT2ASMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL5338300 0.82 MAPT (0.48) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5215826 0.81 MAPT (0.47) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5218842 0.81 MAPT (0.48) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5219268 0.80 BLM (0.49) MAPTSMN1; SMN2LMNAPOLBRAB9A
SCHEMBL5218672 0.80 KDR (0.53) KDR
SCHEMBL5220900 0.79 MAPT (0.54) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5218792 0.79 MAPT (0.43) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115528-A Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogs thereof ACHILLION PHARMACEUTICALS INC (US) 2008-01-30 — — CN claimed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 — — US claimed
US-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ACHILLION PHARMACEUTICAL, INC. 2006-05-11 — — US claimed
CN-101115528-A Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogs thereof ACHILLION PHARMACEUTICALS INC (US) 2008-01-30 — — CN 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-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ZC3HAV1, CD4, ACIN1 MAPT 420/4885MEN1 4767/4885ALDH1A1 1786/4885

“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.

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