Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2519441

O=C(Nc1nonc1/C(=N\O)Nc1ccc(F)c(Br)c1)c1ccc(CN2CCOCC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.49
EPAS1 Q99814 7/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
TP53 P04637 3/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 3/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 1/20 0.44
CYP2C9 P11712 1/20 0.44
IDO1 P14902 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
STAT3 P40763 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
SAE1 Q9UBE0 1/20 0.43

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
SCHEMBL2513932 0.96 NPC1 (0.52) HIF1AEPAS1NPC1RAB9ATP53
SCHEMBL2513937 0.96 NPC1 (0.52) HIF1AEPAS1NPC1RAB9ATP53
Trifluoroacetic Acid SCHEMBL2515066 0.92 SLC2A1 (0.49) HIF1AEPAS1NPC1IDO1
Trifluoroacetic Acid SCHEMBL2515010 0.92 FAAH (0.43) HIF1AEPAS1NPC1IDO1
Trifluoroacetic Acid SCHEMBL6046547 0.91 ALDH1A1 (0.45) HIF1AEPAS1NPC1RAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL2515063 0.90 IDO1 (0.47) HIF1AEPAS1NPC1RAB9ATP53
Trifluoroacetic Acid SCHEMBL2515067 0.90 IDO1 (0.47) HIF1AEPAS1NPC1RAB9ATP53
SCHEMBL2519444 0.89 HIF1A (0.48) HIF1AEPAS1NPC1RAB9ATP53
SCHEMBL2518768 0.88 FAAH (0.45) HIF1AEPAS1NPC1RAB9AIDO1
SCHEMBL2518774 0.88 FAAH (0.45) HIF1AEPAS1NPC1RAB9AIDO1

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-11192868-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION (US) 2021-12-07 US disclosed
US-20190210985-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION 2019-07-11 US disclosed
US-10208002-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION (US) 2019-02-19 US disclosed
US-20180030006-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION 2018-02-01 US disclosed
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2014-12-25 US disclosed
US-8846726-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION (US) 2014-09-30 US disclosed
US-20130123246-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2013-05-16 US disclosed
EP-2559690-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same Incyte Corporation (US) 2013-02-20 EP disclosed
EP-1879573-B1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORP (US) 2012-12-19 EP disclosed
US-8034953-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION (US) 2011-10-11 US disclosed
US-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION 2006-11-16 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 (7 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-10208002-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same IDO1, IDO2, INMT HIF1A 1732/4885EPAS1 1408/4885NPC1 4033/4885
US-20180030006-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT HIF1A 1732/4885EPAS1 1408/4885NPC1 4033/4885
US-11192868-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same IDO1, IDO2, INMT HIF1A 1732/4885EPAS1 1408/4885NPC1 4033/4885
US-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same IDO1, IDO2, INMT HIF1A 1732/4885EPAS1 1408/4885NPC1 4033/4885
US-20190210985-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT HIF1A 1732/4885EPAS1 1408/4885NPC1 4033/4885
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT HIF1A 1732/4885EPAS1 1408/4885NPC1 4033/4885
US-20130123246-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT HIF1A 1732/4885EPAS1 1408/4885NPC1 4033/4885

“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.