SCHEMBL20739105

SCHEMBL20739105

CC(C)[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 5/20 0.38
▸ NPY1R P25929 3/20 0.38
▸ NPY2R P49146 2/20 0.38
▸ NPY5R Q15761 2/20 0.38
▸ SPHK1 Q9NYA1 7/20 0.38
▸ SPHK2 Q9NRA0 1/20 0.38
▸ FURIN P09958 2/20 0.38
▸ SIRT1 Q96EB6 1/20 0.37
▸ HTT P42858 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
SCHEMBL84332 1.00 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RSPHK1
SCHEMBL22315797 1.00 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RSPHK1
SCHEMBL7607468 1.00 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RSPHK1
SCHEMBL20158427 1.00 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RSPHK1
SCHEMBL15692085 1.00 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RSPHK1
SCHEMBL12944390 1.00 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RSPHK1
Hydrochloric Acid SCHEMBL28466191 0.99 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RSPHK1
Hydrochloric Acid SCHEMBL28466185 0.99 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RSPHK1
SCHEMBL21566843 0.97 SIRT1 (0.41) NPY4RNPY1RNPY2RNPY5RSPHK1
SCHEMBL21233409 0.93 HTT (0.38) SPHK1SPHK2HTT

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
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
EP-3666788-A1 HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-06-17 — — EP disclosed
WO-2019031615-A1 HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME 大日本住友製薬株式会社 2019-02-14 — — WO 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 NPY4R 1416/4885NPY1R 1934/4885NPY2R 1736/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA NPY4R 1416/4885NPY1R 1934/4885NPY2R 1736/4885

“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.

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