SCHEMBL9842932

SCHEMBL9842932

CCCC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.66
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64
EPHX2 P34913 1/20 0.59
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
HIF1A Q16665 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 2/20 0.54
THRB P10828 1/20 0.54
NPC1 O15118 1/20 0.54

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
SCHEMBL9539840 0.90 SMN1; SMN2 (0.65) TP53MEN1KMT2ACYP3A4CYP2D6
SCHEMBL6693774 0.87 TP53 (0.62) TP53MEN1KMT2ACYP3A4CYP2D6
SCHEMBL11817205 0.86 EPHX2 (0.59) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL2056170 0.86 EPHX2 (0.63) MEN1KMT2AEPHX2MAPTALDH1A1
SCHEMBL24590189 0.85 EPHX2 (0.58) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL8180566 0.85 EPHX2 (0.58) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL9842942 0.84 TP53 (0.68) TP53MEN1KMT2ACYP3A4CYP2D6
SCHEMBL13724165 0.84 EPHX2 (0.61) MEN1KMT2AEPHX2ALDH1A1L3MBTL1
SCHEMBL13724861 0.84 EPHX2 (0.61) MEN1KMT2AEPHX2ALDH1A1L3MBTL1
SCHEMBL23054850 0.84 EPHX2 (0.61) EPHX2L3MBTL1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US disclosed
CN-112457210-A Preparation method of 3-oxo-N- (4-trifluoromethylphenyl) butanamide 上海应用技术大学 2021-03-09 CN disclosed
CN-112457210-A Preparation method of 3-oxo-N- (4-trifluoromethylphenyl) butanamide 上海应用技术大学 2021-03-09 CN disclosed
US-7879863-B2 Kallikrein inhibitors such as N-((2R)-3-methyl-2-{[4-(trifluoromethyl)phenyl]amino}butyl)-2-phenylacetamide trifluoroacetate, used for the treatment of gastrointestinal disorders, periodontal diseases, skin disorders, arthritis, hypotension, edema, respiratory system disorders and proliferative diseases AJINOMOTO CO., INC. (JP) 2011-02-01 US disclosed
US-20070066586-A1 ANILINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2007-03-22 US disclosed
EP-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 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 (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-20070066586-A1 ANILINE DERIVATIVES SERPINB1, ACE, REN TP53 3996/4885MEN1 980/4885KMT2A 519/4885
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 TP53 659/4885MEN1 479/4885KMT2A 1721/4885

“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.