SCHEMBL22070168

SCHEMBL22070168

NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccc(CO)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.38
▸ PLAU P00749 1/20 0.36
▸ LTA4H P09960 1/20 0.35
▸ SLC1A3 P43003 3/20 0.34
▸ SLC1A2 P43004 3/20 0.34
▸ SLC1A1 P43005 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PTPN1 P18031 3/20 0.33
▸ F7 P08709 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PTPN2 P17706 1/20 0.32
▸ PTPRA P18433 1/20 0.32
▸ PTPN6 P29350 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL17531810 0.78 SLC1A3 (0.48) KIF11LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL22311657 0.78 SLC1A3 (0.48) KIF11LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL22070158 0.77 TAAR1 (0.46) KIF11LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL22873089 0.76 EPHX1 (0.34) KIF11SLC1A3SLC1A2SLC1A1MAPT
SCHEMBL17531775 0.74 POLB (0.49) MAPTCYP3A4
SCHEMBL17531778 0.74 TAAR1 (0.43) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL30918354 0.73 KIF11 (0.41) KIF11LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL31045317 0.73 HDAC8 (0.52) PPARG
SCHEMBL26294391 0.72 MAPT (0.40) KIF11MAPTF7CYP1A2CYP3A4
SCHEMBL19871023 0.72 MAPT (0.40) KIF11MAPTF7CYP1A2CYP3A4

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 5 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
EP-4321523-A2 HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME Sumitomo Pharma Co., Ltd. (JP) 2024-02-14 — — EP disclosed
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-30 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells POU5F1, POU2F1, POU2F2 KIF11 342/4885PLAU 2869/4885LTA4H 3549/4885
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same FCGRT, QARS1, INHA KIF11 2982/4885PLAU 4872/4885LTA4H 2154/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA KIF11 2982/4885PLAU 4872/4885LTA4H 2154/4885

“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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