Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2068343

CN1CC[C@@H](NC(=O)Cn2ncc3ccccc32)C[C@@H]1c1nc2ccccc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GID4 Q8IVV7 2/20 0.42
CXCR3 P49682 1/20 0.39
CRHR1 P34998 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL9970047 0.94 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TSHRL3MBTL1
Trifluoroacetic Acid SCHEMBL3214465 0.86 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TSHRL3MBTL1
Trifluoroacetic Acid SCHEMBL2067618 0.85 GID4 (0.44) GID4
Trifluoroacetic Acid SCHEMBL2067284 0.85 GID4 (0.49) GID4ALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL2067279 0.84 GID4 (0.43) GID4CRHR1
Trifluoroacetic Acid SCHEMBL9929835 0.82 LMNA (0.46) GID4LMNA
Trifluoroacetic Acid SCHEMBL2066792 0.82 GID4 (0.41) NPC1RAB9ASMN1; SMN2GID4KDM4E
Trifluoroacetic Acid SCHEMBL2066888 0.82 CHRNA7 (0.41) GID4
Trifluoroacetic Acid SCHEMBL2067418 0.81 KDM4E (0.49) TSHRKDM4EALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL9929832 0.80 SIGMAR1 (0.49) TSHRGID4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 EP disclosed
EP-2170860-B1 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2016-11-02 EP disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 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-20090005416-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 NPC1 2444/4885RAB9A 1426/4885SMN1; SMN2 1764/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 NPC1 2444/4885RAB9A 1426/4885SMN1; SMN2 1764/4885

“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.