SCHEMBL7230285

SCHEMBL7230285

COC(=O)c1ccc(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
PPARG P37231 2/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SENP1 Q9P0U3 3/20 0.44
LMNA P02545 3/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MMP13 P45452 1/20 0.42
MAPT P10636 1/20 0.42
NAMPT P43490 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL13923460 0.91 PPARG (0.49) L3MBTL1PPARGAURKARPS6KB1PRMT5
SCHEMBL306845 0.82 ROCK2 (0.60) L3MBTL1ALDH1A1SENP1LMNASMN1; SMN2
SCHEMBL10160157 0.81 SENP1 (0.55) PPARGAURKARPS6KB1PRMT5WDR77
SCHEMBL7231023 0.80 L3MBTL1 (0.55) L3MBTL1PPARGHPGDALDH1A1LMNA
SCHEMBL13623005 0.79 SENP1 (0.52) AURKARPS6KB1PRMT5WDR77HPGD
SCHEMBL7230095 0.79 L3MBTL1 (0.54) L3MBTL1PPARGHPGDALDH1A1LMNA
SCHEMBL13923548 0.79 BCHE (0.43) L3MBTL1AURKARPS6KB1PRMT5WDR77
SCHEMBL21352074 0.78 ATR (0.47) ALDH1A1HDAC1HDAC6NAMPTSMN1; SMN2
SCHEMBL25274853 0.77 TP53BP1 (0.44) ALDH1A1MAPT
SCHEMBL7230000 0.76 ALOX5 (0.56) L3MBTL1HPGDALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-6515124-B2 (Z)-2-((2-bromo-4-(((3-hydroxybenzyl)amino)carbonyl)benzoyl) -amino)pent-2-enoic acid, for example; useful for treating psoriasis HOFFMAN-LA ROCHE INC. 2003-02-04 US disclosed
EP-1261579-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20020161237-A1 Dehydroamino acids HOFFMANN-LA ROCHE INC. 2002-10-31 US disclosed
WO-2001058853-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 WO 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-20020161237-A1 Dehydroamino acids HSD3B1, CYP8B1, TH L3MBTL1 520/4885PPARG 765/4885AURKA 4153/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 L3MBTL1 4022/4885PPARG 386/4885AURKA 4099/4885

“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.