Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1064528

COc1c(C(=O)NCC2CCCO2)sc2c1c(=O)n(Cc1ccccn1)c1ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 7/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 13/20 0.41
▸ HTT P42858 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ HPGD P15428 8/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ HSD17B10 Q99714 5/20 0.40
▸ BTK Q06187 1/20 0.40
▸ ATM Q13315 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL10314254 0.95 MAPT (0.48) MAPTPOLBGAAKDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL1061583 0.87 ALDH1A1 (0.48) MAPTKDM4ESMN1; SMN2KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL1064358 0.86 ALDH1A1 (0.45) MAPTKDM4ESMN1; SMN2KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL1061616 0.85 TP53 (0.40) MAPTPOLBKDM4EKMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL1062441 0.85 KMT2A (0.46) MAPTKDM4ESMN1; SMN2RAB9AKMT2A
Trifluoroacetic Acid SCHEMBL1061926 0.84 ALDH1A1 (0.40) MAPTKDM4ESMN1; SMN2ALDH1A1HTT
Trifluoroacetic Acid SCHEMBL1062062 0.84 CACNA1B (0.42) KDM4EALDH1A1BTKTSHR
Trifluoroacetic Acid SCHEMBL1063033 0.84 ALDH1A1 (0.43) MAPTPOLBKDM4ESMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL1062006 0.84 KDM4E (0.43) MAPTKDM4ESMN1; SMN2KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL1061953 0.83 ALDH1A1 (0.41) MAPTPOLBKDM4ESMN1; SMN2KMT2A

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
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — 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 (2 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 MAPT 4789/4885POLB 4449/4885GAA 4154/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 MAPT 4727/4885POLB 4444/4885GAA 4308/4885

“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.

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