Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5223043

C=CCN(C)Cc1csc(NC(=O)Nc2ccc(C)c(Cl)c2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 3/20 0.41
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
EPHB4 P54760 2/20 0.40
TEK Q02763 2/20 0.40
KDR P35968 2/20 0.40
BLM P54132 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL5218065 0.95 SMN1; SMN2 (0.46) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5221062 0.82 MAPT (0.51) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5216227 0.82 SMN1; SMN2 (0.50) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5218460 0.81 SMN1; SMN2 (0.46) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5222382 0.81 SMN1; SMN2 (0.46) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5219188 0.79 MAPT (0.45) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5216358 0.79 MAPT (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5217930 0.79 KCNJ6 (0.48) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5215588 0.79 MAPT (0.52) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5223046 0.78 RAB9A (0.35) MAPTSMN1; SMN2MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809380-A2 INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF Achillion Pharmaceuticals, Inc. (US) 2007-07-25 EP 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
WO-2006053323-A2 INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF ACHILLION PHARMACEUTICALS, INC. (US) 2006-05-18 WO 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
EP-1809380-A2 INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF Achillion Pharmaceuticals, Inc. (US) 2007-07-25 EP disclosed
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 disclosed
WO-2006053323-A2 INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF ACHILLION PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
US-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ACHILLION PHARMACEUTICAL, INC. 2006-05-11 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 (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 420/4885SMN1; SMN2 3606/4885LMNA 2002/4885

“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.