SCHEMBL22551144

SCHEMBL22551144

CCCCCCCCC(NC(=O)CCl)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 13/20 0.64
SLC6A5 Q9Y345 1/20 0.55
EPHX2 P34913 1/20 0.49
GPR84 Q9NQS5 3/20 0.47
FFAR1 O14842 1/20 0.47
FOLH1 Q04609 2/20 0.47

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
SCHEMBL3324805 1.00 NOD1 (0.64) NOD1SLC6A5EPHX2GPR84FFAR1
SCHEMBL11736294 0.93 NOD1 (0.58) NOD1SLC6A5FOLH1
SCHEMBL11736289 0.93 NOD1 (0.58) NOD1SLC6A5FOLH1
SCHEMBL9267642 0.86 NOD1 (0.68) NOD1SLC6A5GPR84FFAR1
SCHEMBL11739515 0.85 NOD1 (0.49) NOD1SLC6A5FOLH1
SCHEMBL11739510 0.85 NOD1 (0.49) NOD1SLC6A5FOLH1
SCHEMBL19840648 0.84 NOD1 (0.87) NOD1SLC6A5EPHX2
SCHEMBL17849921 0.84 NOD1 (0.87) NOD1SLC6A5EPHX2
SCHEMBL9258754 0.84 NOD1 (0.81) NOD1SLC6A5EPHX2
SCHEMBL4611531 0.84 NOD1 (0.76) NOD1SLC6A5EPHX2

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-20210179538-A1 METHOD FOR PRODUCING 2-OCTYLGLYCINE ESTER HAVING OPTICAL ACTIVITY AMINOLOGICS CO., LTD. (KR) 2021-06-17 US disclosed
EP-3725766-A1 METHOD FOR PRODUCING 2-OCTYLGLYCINE ESTER HAVING OPTICAL ACTIVITY Aminologics Co., Ltd. (KR) 2020-10-21 EP 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-20210179538-A1 METHOD FOR PRODUCING 2-OCTYLGLYCINE ESTER HAVING OPTICAL ACTIVITY GNMT, UGT8, OPRM1 NOD1 935/4885SLC6A5 501/4885EPHX2 612/4885

“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.