Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3532133

CCOc1ccccc1C(=O)Nc1ncc2c(n1)CCNC2.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
RXFP1 Q9HBX9 7/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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 SCHEMBL3534180 0.80 CYP1A2 (0.39) MAPTTP53LMNAALDH1A1RAB9A
Trifluoroacetic Acid SCHEMBL3535426 0.75 CYP1A2 (0.53) MAPTLMNAALDH1A1GAAPOLB
Trifluoroacetic Acid SCHEMBL3527597 0.74 CYP1A2 (0.40) MAPTLMNAGAAPOLBHPGD
Trifluoroacetic Acid SCHEMBL29608658 0.73 ENPP2 (0.53) MAPTMAPK1
SCHEMBL3532134 0.73 HTR2C (0.37) MEN1KMT2ARXFP1MAPTTP53
SCHEMBL3533852 0.73 MAPT (0.56) MAPTTP53LMNAPOLB
Trifluoroacetic Acid SCHEMBL19664864 0.71 HTR2C (0.62) POLB
SCHEMBL3530466 0.71 ENPP2 (0.46) MAPTTP53LMNA
SCHEMBL20792776 0.70 POLB (0.43) TP53POLB
SCHEMBL3529849 0.68 POLB (0.46) KMT2ARXFP1MAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP disclosed
US-7662828-B2 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2010-02-16 US disclosed
US-20090176811-A1 Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds GRUENENTHAL GMBH (DE) 2009-07-09 US disclosed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 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-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds P2RX7, CYP2C8, P2RX5 MEN1 3500/4885KMT2A 3974/4885KCNK3 398/4885
US-20090176811-A1 Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds P2RX7, P2RX5, DPYD MEN1 3452/4885KMT2A 4160/4885KCNK3 302/4885

“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.