Sugi Predict

Sugi Predict / Compounds / SCHEMBL3967646

SCHEMBL3967646

SCHEMBL3967646

CC1(CNC(=O)C(F)(F)F)C(=O)NC(=O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MMP2 P08253 5/20 0.35
▸ MMP8 P22894 4/20 0.35
▸ MMP9 P14780 3/20 0.34
▸ ADAMTS4 O75173 3/20 0.34
▸ MMP3 P08254 3/20 0.34
▸ MMP12 P39900 3/20 0.34
▸ MMP13 P45452 3/20 0.34
▸ MMP14 P50281 3/20 0.34
▸ ADAMTS5 Q9UNA0 3/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ CA3 P07451 2/20 0.34
▸ CA5A P35218 2/20 0.34
▸ CA5B Q9Y2D0 2/20 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
Trifluoroacetic Acid SCHEMBL3967648 0.71 MMP2 (0.36) ALDH1A1TP53MMP2MMP8MMP9
SCHEMBL9668457 0.68 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13687877 0.68 ADAMTS7 (0.55) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL5465278 0.67 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13548553 0.66 SMYD3 (0.41) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL5465182 0.66 EPHX1 (0.40) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3752132 0.62 LMNA (0.55) KMT2ATP53LMNA
SCHEMBL14444402 0.62 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL8348835 0.61 LMNA (0.59) ALDH1A1TP53MMP2MMP9MMP3
SCHEMBL3974105 0.61 LMNA (0.46) ALDH1A1TP53MMP2MMP8MMP9

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
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 — — US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 — — US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 — — US disclosed
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-12-11 — — 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 ALDH1A1 839/4885SMN1; SMN2 3011/4885POLB 1914/4885
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP3, TIMP3 ALDH1A1 648/4885SMN1; SMN2 2917/4885POLB 2048/4885

“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.