SCHEMBL12980652

SCHEMBL12980652

CC[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)O)co1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 2/20 0.49
ALDH1A1 P00352 4/20 0.42
TSHR P16473 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HTT P42858 3/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
XBP1 P17861 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
MAPT P10636 2/20 0.38
CTSK P43235 2/20 0.38
CTSS P25774 1/20 0.38
TP53 P04637 2/20 0.37

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
SCHEMBL16602128 0.90 C3AR1 (0.49) C3AR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL800754 0.89 C3AR1 (0.42) C3AR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL12980639 0.89 C3AR1 (0.46) C3AR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL5014051 0.85 ALDH1A1 (0.58) C3AR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL12493298 0.84 C3AR1 (0.47) C3AR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL22636117 0.84 C3AR1 (0.62) C3AR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL22636119 0.84 C3AR1 (0.62) C3AR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL15214453 0.83 C3AR1 (0.43) C3AR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL800492 0.83 KMT2A (0.49) C3AR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL12979837 0.83 C3AR1 (0.43) C3AR1ALDH1A1TSHRMEN1KMT2A

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
EP-2518056-B1 SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR DAIICHI SANKYO CO LTD (JP) 2015-07-29 EP disclosed
US-8846660-B2 Seven-membered ring compound and pharmaceutical use therefor DAIICHI SANKYO COMPANY, LTD. (JP) 2014-09-30 US disclosed
EP-2518056-A1 SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-31 EP disclosed
US-20120259111-A1 SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR DAIICHI SANKYO COMPANY LIMITED (JP) 2012-10-11 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 (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-20120259111-A1 SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR CMA1, CPA3, TMPRSS15 C3AR1 294/4885ALDH1A1 2094/4885TSHR 4211/4885

“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.