SCHEMBL4449959

SCHEMBL4449959

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C(C)C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.79
▸ ALDH1A1 P00352 3/20 0.68
▸ GLA P06280 3/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ TP53 P04637 2/20 0.68
▸ HPGD P15428 2/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ STAT6 P42226 1/20 0.68
▸ CHEK1 O14757 1/20 0.68
▸ HDAC3 O15379 1/20 0.68
▸ ABCC4 O15439 1/20 0.68
▸ GMNN O75496 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ HNRNPA1 P09651 1/20 0.68
▸ GAA P10253 1/20 0.68
▸ ALOX15 P16050 1/20 0.68

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
SCHEMBL7974625 0.93 TOP1 (0.77) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL10130708 0.92 TOP1 (0.76) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL2031817 0.92 TOP1 (0.76) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL7976717 0.91 TOP1 (0.75) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL7976814 0.91 TOP1 (0.75) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL7626555 0.90 TOP1 (0.73) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL10983845 0.90 TOP1 (0.73) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL28220285 0.90 TOP1 (0.73) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL9559911 0.90 MEN1 (0.71) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL11197250 0.89 TOP1 (0.72) TOP1ALDH1A1GLAMEN1KMT2A

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
US-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases EDISON ONCOLOGY (US) 2024-05-16 — — US disclosed
EP-4297746-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED COMPOUNDS AND THERAPIES FOR THE TREATMENT OF DISEASES Edison Oncology (US) 2024-01-03 — — EP disclosed
EP-1883407-A4 COMPOSITIONS AND METHODS FOR TREATMENT FOR NEOPLASMS COMBINATORX INC (US) 2009-07-01 — — EP disclosed
EP-1883407-A1 COMPOSITIONS AND METHODS FOR TREATMENT FOR NEOPLASMS CombinatoRx, Incorporated (US) 2008-02-06 — — EP disclosed
US-20060264384-A1 Compositions and methods for treatment for neoplasms COMBINATORX, INC. 2006-11-23 — — US disclosed
WO-2006122007-A1 COMPOSITIONS AND METHODS FOR TREATMENT FOR NEOPLASMS COMBINATORX, INCORPORATED (US) 2006-11-16 — — WO disclosed
US-RE32518-E Camptothecin derivatives KABUSHIKI KAISHA YAKULT HONSHA (JP) 1987-10-13 — — US disclosed
US-4399282-A 7-HYDROXYALKYL DERIVATIVES USING FREE RADICAL CATALYSTS; ANTITUMOR AND -CARCINOGENIC AGENTS; NONTOXIC KABUSHIKI KAISHA YAKULT HONSHA (JP) 1983-08-16 — — 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-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases TOP2A, TOP2B, TOP1 TOP1 3/4885ALDH1A1 3441/4885GLA 1569/4885
US-20060264384-A1 Compositions and methods for treatment for neoplasms MGMT, TP53, HCCS TOP1 201/4885ALDH1A1 1813/4885GLA 511/4885

“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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