SCHEMBL17092802

SCHEMBL17092802

CCc1c2c(nc3cc(CN4CCCCC4)c(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 17/20 0.71
▸ MEN1 O00255 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ SLC2A1 P11166 1/20 0.61
▸ SLC22A2 O15244 1/20 0.59
▸ SLC22A1 O15245 1/20 0.59
▸ SLC22A3 O75751 1/20 0.59
▸ MMP1 P03956 1/20 0.59
▸ CHRM4 P08173 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ ADRA2C P18825 1/20 0.59
▸ ACHE P22303 1/20 0.59
▸ SLC47A2 Q86VL8 1/20 0.59
▸ SLC47A1 Q96FL8 1/20 0.59

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
SCHEMBL17092806 0.98 TOP1 (0.72) TOP1MEN1KMT2ASLC2A1
SCHEMBL17092799 0.96 TOP1 (0.74) TOP1MEN1KMT2ASLC2A1
SCHEMBL17092798 0.93 TOP1 (0.70) TOP1MEN1KMT2ASLC2A1
SCHEMBL17092803 0.93 TOP1 (0.69) TOP1MEN1KMT2ASLC2A1
SCHEMBL5649602 0.91 TOP1 (0.81) TOP1MEN1KMT2A
SCHEMBL27829924 0.91 TOP1 (0.81) TOP1MEN1KMT2A
SCHEMBL9559783 0.88 TOP1 (0.81) TOP1MEN1KMT2A
SCHEMBL17092812 0.88 TOP1 (0.62) TOP1MEN1KMT2ASLC2A1
SCHEMBL23255613 0.87 TOP1 (0.87) TOP1SLC2A1
SCHEMBL17092808 0.87 TOP1 (0.74) TOP1MEN1KMT2A

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
EP-2912039-B1 DERIVATIVES OF CAMPTOTHECIN, A METHOD OF PRODUCING THEM AND THEIR USE INST CHEMII ORGANICZNEJ POLSKIEJ AKADEMII NAUK (PL) 2017-07-12 — — EP claimed
US-9682992-B2 Derivatives of camptothecin, a method of producing them and their use INSTYTUT CHEMII ORGANICZNEJ POLSKIEJ AKADE (PL) 2017-06-20 — — US claimed
US-20150266888-A1 DERIVATIVES OF CAMPTOTHECIN, A METHOD OF PRODUCING THEM AND THEIR USE NARODOWY INSTYTUT LEKÓW (PL) 2015-09-24 — — US claimed
EP-2912039-B1 DERIVATIVES OF CAMPTOTHECIN, A METHOD OF PRODUCING THEM AND THEIR USE INST CHEMII ORGANICZNEJ POLSKIEJ AKADEMII NAUK (PL) 2017-07-12 — — EP disclosed
US-9682992-B2 Derivatives of camptothecin, a method of producing them and their use INSTYTUT CHEMII ORGANICZNEJ POLSKIEJ AKADE (PL) 2017-06-20 — — 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-20150266888-A1 DERIVATIVES OF CAMPTOTHECIN, A METHOD OF PRODUCING THEM AND THEIR USE TOP2A, TOP2B, MCL1 TOP1 4/4885MEN1 1392/4885KMT2A 3599/4885

“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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