Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1655645

O=C(O)C(F)(F)F.O=C(O)c1c2c(nn1CCCNCCc1ccc(Cl)cc1Cl)-c1ccncc1CC2

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
ROCK2 O75116 3/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
SLC2A1 P11166 2/20 0.32
METAP2 P50579 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 2/20 0.32
MARS1 P56192 2/20 0.32
CNR1 P21554 1/20 0.32
MEN1 O00255 1/20 0.32
GALR3 O60755 1/20 0.32
NR2F2 P24468 1/20 0.32
KCNK3 O14649 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
Trifluoroacetic Acid SCHEMBL4263513 0.91 ROCK2 (0.39) TAAR1ROCK2MAPTTRPV1SLC2A1
Trifluoroacetic Acid SCHEMBL4264410 0.89 ROCK2 (0.37) ROCK2MAPTLMNAKDM4CPOLB
SCHEMBL4262535 0.89 TAAR1 (0.36) TAAR1ROCK2MAPTLMNAHTT
Trifluoroacetic Acid SCHEMBL6792394 0.89 ROCK2 (0.36) ROCK2MAPTLMNAKMT2AMEN1
Trifluoroacetic Acid SCHEMBL4262540 0.88 ROCK2 (0.41) ROCK2MAPTSMN1; SMN2TRPV1SLC2A1
Trifluoroacetic Acid SCHEMBL1658750 0.88 ROCK2 (0.36) ROCK2LMNAKDM4CKMT2AMEN1
Trifluoroacetic Acid SCHEMBL4258489 0.87 ROCK2 (0.34) ROCK2TRPV1SLC2A1
Trifluoroacetic Acid SCHEMBL1655979 0.87 ROCK2 (0.39) ROCK2MAPTSMN1; SMN2SLC2A1KMT2A
Trifluoroacetic Acid SCHEMBL4262242 0.86 ADRB3 (0.37) ROCK2SLC2A1
Trifluoroacetic Acid SCHEMBL4270585 0.86 CDK2 (0.33) ROCK2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
US-9023787-B2 MAPKAP kinase-2 as a specific target for blocking proliferation of P53-defective MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-05 US disclosed
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-02-06 US disclosed
US-8440610-B2 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-14 US disclosed
US-20120252737-A1 Methods for Diagnosing and Treating Cancer MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-04 US disclosed
WO-2011041784-A1 METHODS FOR DIAGNOSING AND TREATING CANCER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-04-07 WO disclosed
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-08 US disclosed
US-20060115453-A1 Methods and compositions for treating cellular proliferative diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-01 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 (4 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-20060115453-A1 Methods and compositions for treating cellular proliferative diseases MKI67, TP53, CCNC TAAR1 4781/4885ROCK2 538/4885MAPT 1772/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 TAAR1 4521/4885ROCK2 571/4885MAPT 1844/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 TAAR1 3783/4885ROCK2 317/4885MAPT 3143/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 TAAR1 4521/4885ROCK2 571/4885MAPT 1844/4885

“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.