SCHEMBL13217339

SCHEMBL13217339

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N(C)C)c(O)ccc3nc2-1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.80
▸ MEN1 O00255 6/20 0.80
▸ KMT2A Q03164 6/20 0.80
▸ SMN1; SMN2 Q16637 5/20 0.80
▸ KDM4E B2RXH2 5/20 0.80
▸ CASP1 P29466 3/20 0.80
▸ CASP7 P55210 3/20 0.80
▸ HBB P68871 3/20 0.80
▸ MAPT P10636 3/20 0.80
▸ USP2 O75604 2/20 0.80
▸ LMNA P02545 2/20 0.80
▸ BRCA1 P38398 2/20 0.80
▸ KEAP1 Q14145 2/20 0.80
▸ NFE2L2 Q16236 2/20 0.80
▸ HIF1A Q16665 2/20 0.80
▸ CYP3A4 P08684 2/20 0.80
▸ SLC22A2 O15244 1/20 0.80
▸ TOP2A P11388 1/20 0.80
▸ TOP2B Q02880 1/20 0.80
▸ SLC47A2 Q86VL8 1/20 0.80

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
SCHEMBL25396064 1.00 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL21410039 0.92 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27170416 0.90 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6599316 0.89 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL16214743 0.89 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL18251452 0.89 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27603460 0.89 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL3836 0.89 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL14577671 0.89 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL9971346 0.89 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2727927-B1 CAMPTOTHECIN DERIVATIVE, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION AND USE THEREOF ZHOU WENQIANG (CN) 2016-07-20 — — EP disclosed
US-9266911-B2 Camptothecin derivative, and preparation method thereof, and pharmaceutical composition and application HUNAN FANGSHENGHUAMEI MEDICAL TECH. CO. LTD. (CN) 2016-02-23 — — US disclosed
US-9266911-B2 Camptothecin derivative, and preparation method thereof, and pharmaceutical composition and application HUNAN FANGSHENGHUAMEI MEDICAL TECH. CO. LTD. (CN) 2016-02-23 — — US disclosed
EP-2727927-A1 CAMPTOTHECIN DERIVATIVE, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION AND USE THEREOF Zhou, Wenqiang (CN) 2014-05-07 — — EP disclosed
US-20140107342-A1 CAMPTOTHECIN DERIVATIVE, AND PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION AND APPLICATION HUNAN FANGSHENGHUAMEI MEDICAL TECH. CO. LTD. (CN) 2014-04-17 — — US disclosed
US-20140107342-A1 CAMPTOTHECIN DERIVATIVE, AND PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION AND APPLICATION HUNAN FANGSHENGHUAMEI MEDICAL TECH. CO. LTD. (CN) 2014-04-17 — — US disclosed
US-20100210677-A1 NOVEL COMPOUND, CORRESPONDING COMPOSITIONS, PREPARATION AND/OR TREATMENT METHODS NOVARTIS AG (CH) 2010-08-19 — — US disclosed
US-20100210677-A1 NOVEL COMPOUND, CORRESPONDING COMPOSITIONS, PREPARATION AND/OR TREATMENT METHODS NOVARTIS AG (CH) 2010-08-19 — — 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-20140107342-A1 CAMPTOTHECIN DERIVATIVE, AND PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION AND APPLICATION CA2, F12, CCND2 TOP1 115/4885MEN1 108/4885KMT2A 2047/4885
US-20100210677-A1 NOVEL COMPOUND, CORRESPONDING COMPOSITIONS, PREPARATION AND/OR TREATMENT METHODS TOP2A, TOP1, TOP2B TOP1 2/4885MEN1 756/4885KMT2A 617/4885

“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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