Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4259057

CC(CNCCCn1nc2c(c1C(=O)O)CCc1cnccc1-2)c1ccc(Cl)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.31

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
EP300 Q09472 2/20 0.30
CDK4 P11802 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCND3 P30281 1/20 0.30
CDK6 Q00534 1/20 0.30

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
SCHEMBL15453745 0.95 CACNA1G (0.33) CACNA1GCYP1A2CYP3A4CYP2D6EP300
Trifluoroacetic Acid SCHEMBL4265861 0.93 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6KDM4EALDH1A1
SCHEMBL4259059 0.89
Trifluoroacetic Acid SCHEMBL1656585 0.87 ROCK2 (0.35) CCNA2CDK2
Trifluoroacetic Acid SCHEMBL4264410 0.86 ROCK2 (0.37) CYP3A4KDM4EALDH1A1CCNA2CDK2
Trifluoroacetic Acid SCHEMBL1658750 0.86 ROCK2 (0.36) CYP3A4ALDH1A1
Trifluoroacetic Acid SCHEMBL4257725 0.86 HPGD (0.32) CYP1A2CYP3A4CYP2D6ALDH1A1CDK2
Trifluoroacetic Acid SCHEMBL4264030 0.85 ALDH1A1 (0.32) ALDH1A1
Trifluoroacetic Acid SCHEMBL6792394 0.84 ROCK2 (0.36) CYP3A4CYP2D6EP300
Trifluoroacetic Acid SCHEMBL1655186 0.83 KDM4C (0.34) CYP1A2CYP3A4CDK2

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
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-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
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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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 (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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 CACNA1G 4268/4885CYP1A2 1087/4885CYP3A4 2152/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 CACNA1G 4816/4885CYP1A2 4250/4885CYP3A4 4828/4885

“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.