Sugi Predict

Sugi Predict / Compounds / SCHEMBL6431490

SCHEMBL6431490

SCHEMBL6431490

Nc1cc2c(cc1C(=O)CCl)OCCO2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ MAPT P10636 6/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ PKM P14618 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
SCHEMBL31692120 1.00 KDM4E (0.57) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL8799086 0.90 MAPT (0.50) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL8041232 0.90 ALDH1A1 (0.45) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL30884756 0.90 ALDH1A1 (0.45) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL31108920 0.87 ALDH1A1 (0.43) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL21901501 0.83 KDM4E (0.61) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL2783283 0.78 KDM4E (0.64) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL29699971 0.78 KDM4E (0.64) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL21721961 0.77 KDM4E (0.67) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL31127883 0.77 KDM4E (0.67) KDM4EALDH1A1MAPTTDP1L3MBTL1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4389752-A1 CAMPTOTHECIN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Simcere Zaiming Pharmaceutical Co., Ltd. (CN) 2024-06-26 — — EP disclosed
CN-117769555-A Camptothecin derivative, pharmaceutical composition and application thereof 先声再明医药有限公司 2024-03-26 — — CN disclosed
WO-2023217227-A1 CAMPTOTHECIN DERIVATIVE AND LIGAND-DRUG CONJUGATE 先声再明医药有限公司 2023-11-16 — — WO disclosed
US-20210393586-A1 Compounds for Use in the Treatment of Bacterial Infections Universität Konstanz (DE) 2021-12-23 — — US disclosed
EP-1254908-B9 Preparation of a camptothecin derivative by intramolecular cyclisation OSI PHARM INC (US) 2005-09-21 — — EP disclosed
EP-1254908-B1 Preparation of a camptothecin derivative by intramolecular cyclisation OSI PHARM INC (US) 2005-02-23 — — EP disclosed
US-6821982-B2 Preparation of a camptothecin derivative by intramolecular cyclisation OSI PHARMACEUTICALS, INC. 2004-11-23 — — US disclosed
EP-0758333-B1 INTERMEDIATES IN PHARMACEUTICAL CAMPTOTHECIN PREPARATION OSI PHARM INC (US) 2004-03-03 — — EP disclosed
US-20030204088-A1 Preparation of a camptothecin derivative by intramolecular cyclisation OSI PHARMACEUTICALS, INC. 2003-10-30 — — US disclosed
US-6559309-B2 Preparation for camptothecin and camptothecin-like compounds and to novel intermediates used in this preparation. The process for the preparation of the camptothecin derivative known by 7-(4 OSI PHARMACEUTICALS, INC. 2003-05-06 — — US disclosed
EP-0758333-A1 INTERMEDIATES IN PHARMACEUTICAL CAMPTOTHECIN PREPARATION GLAXO WELLCOME INC. (US) 1997-02-19 — — EP disclosed
US-5559235-A ANTITUMOR GLAXO WELLCOME INC. (US) 1996-09-24 — — US disclosed
EP-0540099-B1 Water soluble camptothecin derivatives GLAXO WELLCOME INC (US) 1996-04-17 — — EP disclosed
EP-0696285-A1 WATER SOLUBLE DERIVATIVES OF CAMPTOTHECIN AND THEIR USE AS ANTITUMOR AGENTS GLAXO WELLCOME INC. (US) 1996-02-14 — — EP disclosed
US-5491237-A Intermediates in pharmaceutical camptothecin preparation GLAXO WELLCOME INC. (US) 1996-02-13 — — US disclosed
WO-1995029917-A2 INTERMEDIATES IN PHARMACEUTICAL CAMPTOTHECIN PREPARATION GLAXO WELLCOME INC. (US) 1995-11-09 — — WO disclosed
WO-1995029919-A1 PREPARATION OF A CAMPTOTHECIN DERIVATIVE BY INTRAMOLECULAR CYCLISATION GLAXO WELLCOME INC. (US) 1995-11-09 — — WO disclosed
WO-1994025466-A1 WATER SOLUBLE DERIVATIVES OF CAMPTOTHECIN AND THEIR USE AS ANTITUMOR AGENTS GLAXO WELLCOME INC. (US) 1994-11-10 — — WO disclosed
US-5342947-A Treating alkylenedioxy-7-trihaloacetamidomethylenecamptothecin with hydrochloric or sulfuric acid to yield amine salt, treating with alkali metal hydroxide or carbonate to obtain free base GLAXO INC. (US) 1994-08-30 — — US disclosed
EP-0540099-A1 Water soluble camptothecin derivatives GLAXO WELLCOME INC. (US) 1993-05-05 — — 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 (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-20030204088-A1 Preparation of a camptothecin derivative by intramolecular cyclisation TOP1, TOP2A, TOP2B KDM4E 3990/4885ALDH1A1 1514/4885MAPT 4732/4885
US-20210393586-A1 Compounds for Use in the Treatment of Bacterial Infections BLVRB, ELANE, BPGM KDM4E 3106/4885ALDH1A1 3865/4885MAPT 4727/4885

“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.