Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2116448

Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C#N)cc32)c(C)c1C(=O)NCCN1CCNC(=O)C1.O=C(O)C(F)(F)F

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.62
PRKAA1 Q13131 10/20 0.62
PRKAA2 P54646 9/20 0.62
PDGFRB P09619 10/20 0.60
FGFR1 P11362 8/20 0.60
TLK2 Q86UE8 5/20 0.60
HDAC3 O15379 4/20 0.51
HDAC4 P56524 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC7 Q8WUI4 4/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC10 Q969S8 4/20 0.51
HDAC11 Q96DB2 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51
HDAC9 Q9UKV0 4/20 0.51
HDAC5 Q9UQL6 4/20 0.51
PLK4 O00444 3/20 0.49
DCLK1 O15075 3/20 0.49
PDPK1 O15530 3/20 0.49

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
SCHEMBL13762469 0.95 KDR (0.68) KDRPRKAA1PRKAA2PDGFRBFGFR1
Trifluoroacetic Acid SCHEMBL2116338 0.91 PDGFRB (0.73) KDRPRKAA1PRKAA2PDGFRBFGFR1
Trifluoroacetic Acid SCHEMBL4575835 0.91 PDGFRB (0.62) KDRPRKAA1PRKAA2PDGFRBFGFR1
Trifluoroacetic Acid SCHEMBL2115431 0.90 KDR (0.61) KDRPRKAA1PRKAA2PDGFRBFGFR1
Trifluoroacetic Acid SCHEMBL2115384 0.89 KDR (0.58) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL13755258 0.86 PDGFRB (0.79) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL13755249 0.85 KDR (0.67) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL13755264 0.85 KDR (0.66) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL31672418 0.84 KDR (0.71) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL2115486 0.84 KDR (0.71) KDRPRKAA1PRKAA2PDGFRBFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2018-01-04 US disclosed
EP-3246046-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2017-11-22 EP disclosed
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2012-04-19 US disclosed
WO-2010120387-A1 OLIGOMER-PROTEIN TYROSINE KINASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS (US) 2010-10-21 WO disclosed
US-7572924-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2009-08-11 US disclosed
EP-1536783-B1 SOLID FORMULATIONS COMPRISING AN INDOLINONE COMPOUND PFIZER ITALIA SRL (IT) 2008-08-06 EP disclosed
US-7320996-B2 Indolinone protein kinase inhibitors and cyclooxygenase inhibitors for use in combination therapy for the treatment of cancer SUGEN, INC (US) 2008-01-22 US disclosed
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2007-01-11 US disclosed
US-7125905-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2006-10-24 US disclosed
US-20050176802-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2005-08-11 US disclosed
US-6573293-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-03 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 (4 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-20050176802-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 KDR 1372/4885PRKAA1 75/4885PRKAA2 99/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 KDR 648/4885PRKAA1 366/4885PRKAA2 420/4885
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, PLK2, PNCK KDR 1387/4885PRKAA1 73/4885PRKAA2 92/4885
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK KDR 395/4885PRKAA1 881/4885PRKAA2 917/4885

“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.