Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1878628

COc1ccc(NC(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4cnccc34)cc2)cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 2/20 0.53
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
ENPP1 P22413 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
QPCT Q16769 1/20 0.41
PDE4B Q07343 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
LMNA P02545 1/20 0.40
BRAF P15056 2/20 0.40

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
SCHEMBL4071592 0.94 MAP2 (0.56) MAP2MEN1KMT2APOLBRAB9A
Trifluoroacetic Acid SCHEMBL1882867 0.90 MAP2 (0.48) MAP2MEN1KMT2APOLBMAPT
Trifluoroacetic Acid SCHEMBL1880238 0.89 MAP2 (0.52) MAP2RAB9AMAPTLMNAKDR
Trifluoroacetic Acid SCHEMBL1883581 0.86 MAP2 (0.55) MAP2KMT2ACYP3A4FGFR1KDR
Trifluoroacetic Acid SCHEMBL1876323 0.84 MAP2 (0.53) MAP2MEN1KMT2ARAB9AL3MBTL1
Trifluoroacetic Acid SCHEMBL1880747 0.84 MAP2 (0.55) MAP2MEN1KMT2APOLBRAB9A
SCHEMBL4075141 0.83 MAP2 (0.51) MAP2MEN1KMT2APOLBMAPT
SCHEMBL1877183 0.83 MAPT (0.51) MAP2MEN1KMT2ARAB9AMAPT
SCHEMBL1881221 0.83 MAP2 (0.60) MAP2MEN1KMT2APOLBRAB9A
SCHEMBL1881761 0.83 MAP2 (0.56) MAP2MEN1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947706-B2 Anticancer agents; modulate kinases such as KDR (Kinase insert Domain Receptor and Tie-2 (TEK) , a member of the tyrosine kinase receptor family; 3-{4-[3-(2-methoxyphenyl)ureido]phenyl}-1H-pyrrolo[2,3-b]pyridine-2-carboxamide for example SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-05-24 US claimed
EP-1877409-B1 SUBSTITUTED PYRROLO-PYRIDINES, COMPOSITION CONTAINING THEM, METHOD FOR THEIR PRODUCING AND USE THEREOF AVENTIS PHARMA SA (FR) 2009-06-17 EP claimed
US-20080139606-A1 Substituted Pyrrolopyridines, Compositions Containing Them, Manufacturing Process Therefor and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-12 US claimed
US-7947706-B2 Anticancer agents; modulate kinases such as KDR (Kinase insert Domain Receptor and Tie-2 (TEK) , a member of the tyrosine kinase receptor family; 3-{4-[3-(2-methoxyphenyl)ureido]phenyl}-1H-pyrrolo[2,3-b]pyridine-2-carboxamide for example SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-05-24 US disclosed
US-20080139606-A1 Substituted Pyrrolopyridines, Compositions Containing Them, Manufacturing Process Therefor and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-12 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 (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-20080139606-A1 Substituted Pyrrolopyridines, Compositions Containing Them, Manufacturing Process Therefor and Use Thereof WEE1, CNKSR1, WEE2 MAP2 1477/4885MEN1 2890/4885KMT2A 2155/4885

“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.