Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1059876

CCCCn1c(=O)c2c(OC)c(C(=O)NC3CCN(Cc4ccccc4)CC3)sc2c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ UBE2N P61088 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TP53 P04637 3/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ SLC6A12 P48065 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL1061267 0.96 DRD4 (0.48) UBE2NMEN1LMNAKMT2ATP53
SCHEMBL10314311 0.96 TP53 (0.50) UBE2NMEN1LMNAKMT2ATP53
SCHEMBL10314310 0.91 DRD4 (0.51) UBE2NMEN1LMNAKMT2ATP53
Trifluoroacetic Acid SCHEMBL1062029 0.91 SIGMAR1 (0.50) TP53SIGMAR1THRBSLC6A12MCHR1
Trifluoroacetic Acid SCHEMBL1059812 0.89 TP53 (0.48) TP53SIGMAR1THRBSLC6A12MCHR1
Trifluoroacetic Acid SCHEMBL1062690 0.88 SIGMAR1 (0.46) TP53SIGMAR1THRBSLC6A12MCHR1
Trifluoroacetic Acid SCHEMBL1057025 0.87 DRD4 (0.51) SIGMAR1SLC6A12MCHR1ALDH1A1
SCHEMBL10314286 0.86 SIGMAR1 (0.54) TP53SIGMAR1THRBSLC6A12MCHR1
SCHEMBL1061621 0.86 CNR2 (0.50) MEN1KMT2ATP53SMN1; SMN2MAPT
SCHEMBL1060900 0.86 SMN1; SMN2 (0.55) TP53SIGMAR1THRBSLC6A12MCHR1

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 UBE2N 3004/4885MEN1 1922/4885LMNA 4534/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 UBE2N 2401/4885MEN1 2094/4885LMNA 4392/4885

“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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