SCHEMBL3487334

SCHEMBL3487334

COc1ccc(CN2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2CC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 3/20 0.41
CTSK P43235 2/20 0.40
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
FFAR1 O14842 1/20 0.39
KCNA3 P22001 1/20 0.39
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL2816591 1.00 L3MBTL1 (0.46) L3MBTL1KMT2ASIGMAR1CTSKMCHR1
SCHEMBL13088860 1.00 L3MBTL1 (0.46) L3MBTL1KMT2ASIGMAR1CTSKMCHR1
SCHEMBL4373643 0.90 KMT2A (0.57) L3MBTL1KMT2ACTSKMCHR1KCNA3
SCHEMBL4373639 0.90 KMT2A (0.57) L3MBTL1KMT2ACTSKMCHR1KCNA3
SCHEMBL4373646 0.90 KMT2A (0.57) L3MBTL1KMT2ACTSKMCHR1KCNA3
SCHEMBL13434257 0.89 L3MBTL1 (0.41) L3MBTL1KMT2ASIGMAR1CTSKALDH1A1
SCHEMBL13434256 0.89 L3MBTL1 (0.41) L3MBTL1KMT2ASIGMAR1CTSKALDH1A1
SCHEMBL7794347 0.89 L3MBTL1 (0.41) L3MBTL1KMT2ASIGMAR1CTSKALDH1A1
SCHEMBL13631102 0.89 L3MBTL1 (0.41) L3MBTL1KMT2ASIGMAR1CTSKALDH1A1
SCHEMBL19876008 0.82 L3MBTL1 (0.46) L3MBTL1KMT2ASIGMAR1ALDH1A1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 L3MBTL1 3310/4885KMT2A 1812/4885SIGMAR1 354/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 L3MBTL1 3531/4885KMT2A 921/4885SIGMAR1 570/4885

“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.