Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4323809

CC(C)CCN=C(NCC(C)(C)CN)Nc1ccc(OCc2ccccc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 14/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL4323806 1.00 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4318290 0.94 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4318292 0.94 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4315147 0.84 PDK1 (0.46) LTA4H
SCHEMBL4318258 0.83 LTA4H (0.43) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4318259 0.83 LTA4H (0.43) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4322601 0.79 LTA4H (0.52) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4322605 0.79 LTA4H (0.52) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5170184 0.76 NOS3 (0.43) LTA4HRAB9ASMN1; SMN2
SCHEMBL5166446 0.75 RAB9A (0.37) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1

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
US-7582656-B2 Guanidine derivatives and therapeutic uses thereof MERCK PATENT GESELLSCHAFT (DE) 2009-09-01 US claimed
US-20080004315-A1 Guanidine Derivatives and Therapeutic Uses Thereof MERCK PATENT GMBH (DE) 2008-01-03 US claimed
EP-1771428-A1 GUANIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF MERCK PATENT GmbH (DE) 2007-04-11 EP claimed
WO-2006010422-A1 GUANIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2006-02-02 WO claimed
US-7582656-B2 Guanidine derivatives and therapeutic uses thereof MERCK PATENT GESELLSCHAFT (DE) 2009-09-01 US disclosed
US-20080004315-A1 Guanidine Derivatives and Therapeutic Uses Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
EP-1771428-A1 GUANIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF MERCK PATENT GmbH (DE) 2007-04-11 EP disclosed
WO-2006010422-A1 GUANIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2006-02-02 WO 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-20080004315-A1 Guanidine Derivatives and Therapeutic Uses Thereof GMPS, GUCY1A2, GUCY1A1 LTA4H 3247/4885NPC1 1813/4885RAB9A 478/4885

“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.