SCHEMBL22316560

SCHEMBL22316560

CCCCCCCCN[C@H](CC(=O)OCC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.44
EPHX1 P07099 5/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TSHR P16473 1/20 0.38
FAAH O00519 1/20 0.37
EPHX2 P34913 2/20 0.37
KMT2A Q03164 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PAM P19021 1/20 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
SCHEMBL27915546 0.89 NAAA (0.50) NOD1EPHX1FAAH
SCHEMBL27934192 0.89 NAAA (0.50) NOD1EPHX1FAAH
SCHEMBL27934179 0.89 NAAA (0.50) NOD1EPHX1FAAH
SCHEMBL27934193 0.89 NAAA (0.50) NOD1EPHX1FAAH
SCHEMBL27934183 0.89 NAAA (0.50) NOD1EPHX1FAAH
SCHEMBL27641985 0.89 KMT2A (0.44) NOD1EPHX1MGAMGAASI
SCHEMBL27641987 0.89 KMT2A (0.44) NOD1EPHX1MGAMGAASI
SCHEMBL15187845 0.86 CYP1A2 (0.46) NOD1MGAMGAASIMGAM2
SCHEMBL13791979 0.83 KMT2A (0.47) MGAMGAASIMGAM2TSHR
SCHEMBL31121509 0.83 KMT2A (0.47) MGAMGAASIMGAM2TSHR

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-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 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-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same FCGRT, QARS1, INHA NOD1 4582/4885EPHX1 3680/4885MGAM 3865/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA NOD1 4582/4885EPHX1 3680/4885MGAM 3865/4885

“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.