Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3904473

CC(C)(C)OC(=O)NC1CCC(C(=O)Nc2cc(F)ccc2F)C1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
BTK Q06187 1/20 0.42
BRAF P15056 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CDK1 P06493 2/20 0.39
CDK2 P24941 2/20 0.39
CDK9 P50750 2/20 0.39
CDK3 Q00526 2/20 0.39
CDK5 Q00535 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK5R1 Q15078 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
SCHEMBL3900663 0.95 TSHR (0.46) TSHRALDH1A1BTKBRAFKMT2A
SCHEMBL5548398 0.84 BTK (0.47) TSHRBTKBRAFKMT2AMEN1
SCHEMBL3907863 0.84 BTK (0.47) TSHRBTKBRAFKMT2AMEN1
SCHEMBL18208383 0.77 HPGD (0.48) BTKKMT2AKDM1AMAOBPLK1
SCHEMBL18208382 0.77 HPGD (0.48) BTKKMT2AKDM1AMAOBPLK1
SCHEMBL3899442 0.74 ALDH1A1 (0.55) TSHRALDH1A1BTKKMT2AMEN1
SCHEMBL15614546 0.74 MAPT (0.51) TSHRALDH1A1BRAFKMT2AMEN1
SCHEMBL7097967 0.73 KMT2A (0.51) BTKKMT2AMEN1KDM1AMAOB
SCHEMBL25674698 0.72 AAK1 (0.43) BTKKMT2AKDM1AMAOBCDK9
SCHEMBL29919416 0.72 BRAF (0.46) BRAFKMT2AMEN1CDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799639-B1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2013-09-04 EP disclosed
US-7538128-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-05-26 US disclosed
US-7524844-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-04-28 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
EP-1799639-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION Glenmark Pharmaceuticals S.A. (CH) 2007-06-27 EP disclosed
US-7205323-B2 Dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2007-04-17 US disclosed
US-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACETUCALS, S.A. 2006-06-29 US disclosed
WO-2006040625-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2006-04-20 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 (3 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-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation DPP4, DPP3, DPP7 TSHR 2386/4885ALDH1A1 924/4885BTK 3741/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 TSHR 1805/4885ALDH1A1 1040/4885BTK 3630/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 TSHR 1805/4885ALDH1A1 1040/4885BTK 3630/4885

“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.