SCHEMBL2820558

SCHEMBL2820558

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
FFAR1 O14842 1/20 0.44
KDM4E B2RXH2 1/20 0.43
EPHX2 P34913 1/20 0.41
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL2817309 1.00 SIGMAR1 (0.46) SIGMAR1FFAR1KDM4EEPHX2MMP1
SCHEMBL13631280 0.88 ALDH1A1 (0.41) SIGMAR1KDM4EEPHX2POLB
SCHEMBL13434260 0.88 ALDH1A1 (0.41) SIGMAR1KDM4EEPHX2POLB
SCHEMBL13630926 0.88 ALDH1A1 (0.41) SIGMAR1KDM4EEPHX2POLB
SCHEMBL12361787 0.88 ALDH1A1 (0.41) SIGMAR1KDM4EEPHX2POLB
SCHEMBL13088860 0.81 L3MBTL1 (0.46) SIGMAR1FFAR1EPHX2MMP1MMP13
SCHEMBL2816591 0.81 L3MBTL1 (0.46) SIGMAR1FFAR1EPHX2MMP1MMP13
SCHEMBL3487334 0.81 L3MBTL1 (0.46) SIGMAR1FFAR1EPHX2MMP1MMP13
SCHEMBL3487365 0.81 SIGMAR1 (0.47) SIGMAR1FFAR1KDM4EMMP1MMP13
SCHEMBL2820441 0.81 SIGMAR1 (0.47) SIGMAR1FFAR1KDM4EMMP1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP 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 (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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 SIGMAR1 570/4885FFAR1 2159/4885KDM4E 1427/4885

“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.