SCHEMBL3185102

SCHEMBL3185102

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NOc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 19/20 0.79
ALDH1A1 P00352 3/20 0.62
GLA P06280 3/20 0.62
KDM4E B2RXH2 2/20 0.62
TP53 P04637 2/20 0.62
HPGD P15428 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
STAT6 P42226 1/20 0.62
CHEK1 O14757 1/20 0.62
HDAC3 O15379 1/20 0.62
ABCC4 O15439 1/20 0.62
GMNN O75496 1/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
HNRNPA1 P09651 1/20 0.62
GAA P10253 1/20 0.62
ALOX15 P16050 1/20 0.62

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
SCHEMBL3191355 0.94 TOP1 (0.75) TOP1ALDH1A1GLAKDM4ETP53
SCHEMBL2028767 0.92 TOP1 (0.81) TOP1ALDH1A1GLAKDM4ETP53
SCHEMBL22843988 0.92 TOP1 (0.81) TOP1ALDH1A1GLAKDM4ETP53
SCHEMBL25130176 0.92 TOP1 (0.85) TOP1ALDH1A1GLAKDM4ETP53
SCHEMBL2028388 0.92 TOP1 (0.85) TOP1ALDH1A1GLAKDM4ETP53
Gimatecan SCHEMBL130586 0.91 TOP1 (0.79) TOP1ALDH1A1GLAKDM4ETP53
Gimatecan SCHEMBL15341182 0.91 TOP1 (0.79) TOP1ALDH1A1GLAKDM4ETP53
Gimatecan SCHEMBL1649254 0.91 TOP1 (0.79) TOP1ALDH1A1GLAKDM4ETP53
Gimatecan SCHEMBL24685122 0.91 TOP1 (0.79) TOP1ALDH1A1GLAKDM4ETP53
Gimatecan SCHEMBL29358288 0.91 TOP1 (0.79) TOP1ALDH1A1GLAKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040018988-A1 Camptothecin derivatives having antitumor activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-01-29 US claimed
US-20010008939-A1 Camptothecin derivatives having antitumor activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.. 2001-07-19 US claimed
US-6242457-B1 OXIME DERIVATIVES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2001-06-05 US claimed
EP-1814520-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING A CAMTOTHECIN DERIVATE SIGMA TAU IND FARMACEUTI (IT) 2016-04-13 EP disclosed
US-8975248-B2 Combinations of therapeutic agents for treating cancer SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2015-03-10 US disclosed
US-8518961-B2 spontaneously dispersible; 7-t-butoxyiminomethylcamptothecin in microemulsion preconcentrate; topoisomerase I inhibitor; proliferative diseases including cancer; stability; bioavailability SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2013-08-27 US disclosed
US-20100166843-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CAMPOTHECIN DERIVATIVE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-07-01 US disclosed
US-20100068265-A1 GELATIN CAPSULES COMPRISING AN ACID NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100028338-A1 Gimatecan (7-t-butoxyiminomethylcamptothecin) and chemotherapeutic agents NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2120889-A1 GELATIN CAPSULES COMPRISING AN ACID Novartis AG (CH) 2009-11-25 EP disclosed
EP-2107903-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CAMPOTHECIN DERIVATIVE SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-10-14 EP disclosed
EP-1814520-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A CAMTOTHECIN DERIVATE Novartis AG (CH) 2007-08-08 EP disclosed
US-7105492-B2 Camptothecin derivatives having antitumor activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-09-12 US disclosed
WO-2006065780-A2 COMBINATIONS OF THERAPEUTIC AGENTS FOR TREATING CANCER NOVARTIS AG (CH) 2006-06-22 WO disclosed
WO-2006053755-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A CAMTOTHECIN DERIVATE NOVARTIS AG (CH) 2006-05-26 WO disclosed
US-20040018988-A1 Camptothecin derivatives having antitumor activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-01-29 US disclosed
US-6589939-B2 Also useful in treating viral infections; antiprotozoa (plasmodium) activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-07-08 US disclosed
US-20010008939-A1 Camptothecin derivatives having antitumor activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.. 2001-07-19 US disclosed
US-6242457-B1 OXIME DERIVATIVES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2001-06-05 US disclosed
WO-2000053607-A1 CAMPTOTHECIN DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2000-09-14 WO 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 (5 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-20100068265-A1 GELATIN CAPSULES COMPRISING AN ACID GLA, GYPA, PGA5 TOP1 4286/4885ALDH1A1 397/4885GLA 1/4885
US-20100028338-A1 Gimatecan (7-t-butoxyiminomethylcamptothecin) and chemotherapeutic agents HDAC6, HDAC1, HDAC8 TOP1 21/4885ALDH1A1 3549/4885GLA 1037/4885
US-20010008939-A1 Camptothecin derivatives having antitumor activity TOP1, TOP2A, TYMP TOP1 1/4885ALDH1A1 2202/4885GLA 1623/4885
US-20040018988-A1 Camptothecin derivatives having antitumor activity TOP1, TOP2A, TOP2B TOP1 1/4885ALDH1A1 1248/4885GLA 1972/4885
US-20100166843-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CAMPOTHECIN DERIVATIVE TOP1, TOP2A, TOP2B TOP1 1/4885ALDH1A1 3296/4885GLA 2607/4885

“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.