SCHEMBL4427322

SCHEMBL4427322

CC[C@@]1(OCCC(=O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.73
ABCC3 O15438 1/20 0.73
ABCC4 O15439 1/20 0.73
ACHE P22303 1/20 0.73
PTGS1 P23219 1/20 0.73
ABCC2 Q92887 1/20 0.73
TOP1 P11387 17/20 0.61
GLA P06280 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 2/20 0.56
RAB9A P51151 2/20 0.56
GAA P10253 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
HPGD P15428 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
RECQL P46063 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL5547333 0.90 HTT (0.75) HTTABCC3ABCC4ACHEPTGS1
SCHEMBL27598514 0.90 HTT (0.77) HTTABCC3ABCC4ACHEPTGS1
SCHEMBL4410537 0.90 HTT (0.77) HTTABCC3ABCC4ACHEPTGS1
SCHEMBL6713165 0.89 HTT (0.76) HTTABCC3ABCC4ACHEPTGS1
SCHEMBL31091151 0.89 HTT (0.76) HTTABCC3ABCC4ACHEPTGS1
SCHEMBL8472836 0.87 HTT (0.73) HTTABCC3ABCC4ACHEPTGS1
SCHEMBL6848603 0.87 HTT (0.74) HTTABCC3ABCC4ACHEPTGS1
SCHEMBL23269835 0.87 GLA (0.74) HTTABCC4TOP1GLAALDH1A1
SCHEMBL3766910 0.87 GLA (0.74) HTTABCC4TOP1GLAALDH1A1
SCHEMBL16521887 0.87 HTT (0.72) HTTABCC3ABCC4ACHEPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879236-B1 DERIVATIVES OF CAMPTOTHECIN FOR USE IN TREATING CANCER CHRISTUS STEHLIN FOUNDATION FO (US) 2009-11-04 EP disclosed
EP-1829880-A2 Derivatives of camptothecin for use in treating cancer THE STEHLIN FOUNDATION FOR CANCER RESEARCH (US) 2007-09-05 EP disclosed
WO-2004091621-A1 ALTERNATING TREATMENT OF CANCER WITH TOPOISOMERASE I AND TOPOISOMERASE II INHIBITORS THE STEHLIN FOUNDATION FOR CANCER RESEARCH (US) 2004-10-28 WO disclosed
US-6407118-B1 ANTITUMOR AGENTS; SIDE EFFECT REDUCTION THE STEHLIN FOUNDATION FOR CANCER RESEARCH 2002-06-18 US disclosed
EP-1200068-A2 LIPOSOMAL PRODRUGS COMPRISING DERIVATIVES OF CAMPTOTHECIN AND METHODS OF TREATING CANCER USING THESE PRODRUGS THE STEHLIN FOUNDATION FOR CANCER RESEARCH (US) 2002-05-02 EP disclosed
US-6352996-B1 ANTICARCINOGENIC AGENTS AND LIPOSOMES THE STEHLIN FOUNDATION FOR CANCER RESEARCH 2002-03-05 US disclosed
US-20010031761-A1 Derivatives of camptothecin and methods of treating cancer using these derivatives CAO ZHISONG (US) 2001-10-18 US disclosed
US-6218399-B1 MODIFYING THE 20 POSITION OF CAMPTOTHECIN TO FORM A COMPOUND WHICH IS LOW TOXICITY USED IN CANCER THERAPY THE STEHLIN FOUNDATION FOR CANCER RESEARCH 2001-04-17 US disclosed
WO-2001008663-A2 LIPOSOMAL PRODRUGS COMPRISING DERIVATIVES OF CAMPTOTHECIN AND METHODS OF TREATING CANCER USING THESE PRODRUGS THE STEHLIN FOUNDATION FOR CANCER RESEARCH (US) 2001-02-08 WO disclosed
US-6120793-A TRANSDERMAL ADMINISTERING THE STEHLIN FOUNDATION FOR CANCER RESEARCH (US) 2000-09-19 US disclosed
US-6096336-A ACTIVE COMPONENT AND A LIPOSOMAL DELIVERY SYSTEM THE STEHLIN FOUNDATION FOR CANCER RESEARCH (US) 2000-08-01 US disclosed
EP-0879236-A1 DERIVATIVES OF CAMPTOTHECIN FOR USE IN TREATING CANCER THE STEHLIN FOUNDATION FOR CANCER RESEARCH (US) 1998-11-25 EP disclosed
US-5731316-A ANTITUMOR AGENTS THE STEHLIN FOUNDATION FOR CANCER RESEARCH (US) 1998-03-24 US disclosed
WO-1997028165-A1 DERIVATIVES OF CAMPTOTHECIN FOR USE IN TREATING CANCER THE STEHLIN FOUNDATION FOR CANCER RESEARCH (US) 1997-08-07 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 (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-20010031761-A1 Derivatives of camptothecin and methods of treating cancer using these derivatives HCCS, TOP2A, CBR1 HTT 4788/4885ABCC3 146/4885ABCC4 348/4885

“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.