Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2113142

Cc1ccc(-c2ccc3c(n2)OCCNC3)c(C)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
SSTR4 P31391 10/20 0.33
KDM1A O60341 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL10200280 0.90 LMNA (0.36) ALPLCA9LMNAMAPTMAPK1
Trifluoroacetic Acid SCHEMBL2111255 0.90 SSTR4 (0.37) SSTR4
Trifluoroacetic Acid SCHEMBL2110640 0.88 PRKAB2 (0.36) ALPLCA9LMNASSTR4KDM1A
Trifluoroacetic Acid SCHEMBL2111603 0.84 SSTR4 (0.34) SSTR4KDM1A
Trifluoroacetic Acid SCHEMBL2110333 0.81 DPP4 (0.41) ALPLLMNAMAPK1SSTR4
Trifluoroacetic Acid SCHEMBL2111976 0.80 SSTR4 (0.37) SSTR4
SCHEMBL10200252 0.79 PNMT (0.38) SSTR4
Trifluoroacetic Acid SCHEMBL2111767 0.79 SSTR4 (0.35) ALPLSSTR4
Trifluoroacetic Acid SCHEMBL2111709 0.79 KMO (0.43) SSTR4ALDH1A1
Trifluoroacetic Acid SCHEMBL2111707 0.78 SSTR4 (0.41) SSTR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
EP-2018863-B9 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2015-02-18 EP disclosed
EP-2018863-B1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2742936-A1 Fused heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
EP-2727585-A1 In-vivo screening method Takeda Pharmaceutical Company Limited (JP) 2014-05-07 EP disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
EP-2018863-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-01-28 EP 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 (3 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B ALPL 4851/4885CA9 2972/4885LMNA 3117/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B ALPL 4851/4885CA9 2972/4885LMNA 3117/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B ALPL 4851/4885CA9 2972/4885LMNA 3117/4885

“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.