Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1062062

COc1c(C(=O)NCCC2CCCN2C)sc2c1c(=O)n(Cc1ccccn1)c1ccccc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42
▸ BTK Q06187 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ SLC2A1 P11166 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ PRKCG P05129 1/20 0.37
▸ PRKCB P05771 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ PRKCH P24723 1/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ PRKCE Q02156 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ PRKCZ Q05513 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ PRKD1 Q15139 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.36
▸ POLR1A O95602 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL10314325 0.95 BTK (0.41) BTKACKR3PRKD3PRKCGPRKCB
Trifluoroacetic Acid SCHEMBL1062006 0.88 KDM4E (0.43) BTKKDM4EALDH1A1LMNAPKM
Trifluoroacetic Acid SCHEMBL1063917 0.88 CACNA1B (0.43) CACNA1BAPBA1BTKACKR3KDM4E
Trifluoroacetic Acid SCHEMBL1062912 0.88 CACNA1B (0.47) CACNA1BAPBA1BTKACKR3POLR1A
Trifluoroacetic Acid SCHEMBL1062441 0.87 KMT2A (0.46) KDM4EALDH1A1LMNAPKMTSHR
Trifluoroacetic Acid SCHEMBL1061193 0.86 CACNA1B (0.43) CACNA1BAPBA1BTKACKR3PRKD3
Trifluoroacetic Acid SCHEMBL1061583 0.86 ALDH1A1 (0.48) KDM4EALDH1A1LMNAPKMTSHR
Trifluoroacetic Acid SCHEMBL1061616 0.86 TP53 (0.40) KDM4EALDH1A1LMNAPKMTSHR
Trifluoroacetic Acid SCHEMBL1080707 0.85 MAPT (0.45) KDM4EALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL1063790 0.85 RAB9A (0.44) KDM4EALDH1A1LMNATSHR

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 CACNA1B 2436/4885APBA1 4073/4885BTK 2117/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 CACNA1B 2833/4885APBA1 3872/4885BTK 2228/4885

“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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