Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6410086

Nc1nc(NC2CCN(S(=O)(=O)c3ccc(OCCN4CCCC4)nc3)CC2)sc1C(=O)c1c(F)cccc1F.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.40
CCND1 P24385 5/20 0.40
CDK2 P24941 5/20 0.40
CDK1 P06493 3/20 0.40
CCNT1 O60563 3/20 0.39
CDK9 P50750 3/20 0.39
CDK6 Q00534 3/20 0.39
CDK11A Q9UQ88 3/20 0.39
CCNA2 P20248 3/20 0.38
CDK5 Q00535 3/20 0.37
CDK5R1 Q15078 3/20 0.37
CCNB2 O95067 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
CCR6 P51684 2/20 0.34
CDK14 O94921 2/20 0.34
CCNY Q8ND76 2/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34

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
Hydrochloric Acid SCHEMBL6407207 0.95 CDK4 (0.42) CDK4CCND1CDK2CDK1CCNT1
Trifluoroacetic Acid SCHEMBL6197402 0.92 CDK2 (0.41) CDK4CCND1CDK2CDK1CCNT1
Hydrochloric Acid SCHEMBL6193856 0.90 CDK4 (0.43) CDK4CCND1CDK2CDK1CCNT1
Trifluoroacetic Acid SCHEMBL6197563 0.89 CDK4 (0.41) CDK4CCND1CDK2CDK1CCNT1
Trifluoroacetic Acid SCHEMBL6407484 0.88 CDK2 (0.40) CDK4CCND1CDK2CDK1CCNT1
Trifluoroacetic Acid SCHEMBL6197522 0.88 CDK4 (0.40) CDK4CCND1CDK2CDK1CCNT1
SCHEMBL6197278 0.88 CDK2 (0.45) CDK4CCND1CDK2CDK1CCNT1
Trifluoroacetic Acid SCHEMBL6200930 0.86 CDK4 (0.41) CDK4CCND1CDK2CDK1CCNT1
Hydrochloric Acid SCHEMBL6198647 0.86 CDK4 (0.43) CDK4CCND1CDK2CDK1CCNT1
Hydrochloric Acid SCHEMBL6198917 0.86 CDK4 (0.43) CDK4CCND1CDK2CDK1CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101595-A1 N-containing cycloalkyl-substituted amino-thiazole derivatives and pharmaceutical compositions for inhibiting cell proliferation and methods for their use PFIZER INC. 2005-05-12 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 (1 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-20050101595-A1 N-containing cycloalkyl-substituted amino-thiazole derivatives and pharmaceutical compositions for inhibiting cell proliferation and methods for their use CCNI, MKI67, TK1 CDK4 78/4885CCND1 61/4885CDK2 6/4885

“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.