Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2685752

N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccc(-c3cncnc3)cc21.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 2/20 0.42
TSHR P16473 1/20 0.41
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BRD4 O60885 1/20 0.39
RIPK1 Q13546 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
USP30 Q70CQ3 2/20 0.38
UCHL1 P09936 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
SCHEMBL2683500 0.95 HDAC8 (0.47) HDAC8CYP11B1CYP11B2TSHRDPP4
SCHEMBL2683491 0.95 HDAC8 (0.47) HDAC8CYP11B1CYP11B2TSHRDPP4
SCHEMBL2685605 0.84 HDAC8 (0.47) HDAC8CYP11B1CYP11B2TSHRDPP4
SCHEMBL2685606 0.84 HDAC8 (0.47) HDAC8CYP11B1CYP11B2TSHRDPP4
SCHEMBL2685396 0.83 DPP4 (0.48) HDAC8TSHRDPP4DPP8DPP7
SCHEMBL2685400 0.83 DPP4 (0.48) HDAC8TSHRDPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL2686205 0.83 HDAC8 (0.41) HDAC8TSHRDPP4HTTRECQL
Hydrochloric Acid SCHEMBL2686718 0.82 HDAC8 (0.50) HDAC8TSHRDPP4DPP8DPP7
SCHEMBL5960867 0.81 EP300 (0.49) HDAC8TSHRHTTRECQLNPSR1
SCHEMBL2685377 0.81 FPR2 (0.49) HDAC8CYP11B1CYP11B2TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A HDAC8 2147/4885CYP11B1 651/4885CYP11B2 320/4885

“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.