SCHEMBL3138027

SCHEMBL3138027

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(F)c(F)cc3nc2-1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 18/20 0.82
DDX5 P17844 1/20 0.79
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
KDM4E B2RXH2 3/20 0.76
ALDH1A1 P00352 3/20 0.76
CYP3A4 P08684 2/20 0.76
HBB P68871 2/20 0.76
CASP1 P29466 1/20 0.76
CASP7 P55210 1/20 0.76
TP53 P04637 2/20 0.75
GLA P06280 2/20 0.75
HPGD P15428 2/20 0.75
STAT6 P42226 1/20 0.75
CHEK1 O14757 1/20 0.75
HDAC3 O15379 1/20 0.75
ABCC4 O15439 1/20 0.75
GMNN O75496 1/20 0.75
LMNA P02545 1/20 0.75

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
SCHEMBL30805390 0.94 TOP1 (0.78) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL16649109 0.94 TOP1 (0.78) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL22598074 0.94 TOP1 (0.78) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL34463611 0.94 TOP1 (0.78) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL31726257 0.93 TOP1 (0.80) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL30538213 0.93 TOP1 (0.82) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL26405346 0.93 TOP1 (0.82) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL16648871 0.91 TOP1 (0.74) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL31726297 0.91 TOP1 (0.74) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL30805404 0.91 TOP1 (0.74) TOP1DDX5MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022001864-A1 ANTIBODY-DRUG CONJUGATE AND PREPARATION METHOD THEREFOR AND USE THEREOF 昆山新蕴达生物科技有限公司 2022-01-06 WO disclosed
EP-2197279-B1 C10-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS INC (US) 2017-01-18 EP disclosed
EP-2197879-B1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS INC (US) 2014-01-22 EP disclosed
EP-2007386-B1 CAMPTOTHECIN-ANALOG WITH A NOVEL, FLIPPED LACTONE-STABLE, E-RING AND METHODS FOR MAKING AND USING SAME BIONUMERIK PHARMACEUTICALS INC (US) 2012-08-22 EP disclosed
EP-2197279-A1 C10-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-06-23 EP disclosed
EP-2197879-A1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-06-23 EP disclosed
US-7687487-B2 Camptothecin-analog with a novel, “flipped” lactone-stable, E-ring and methods for making and using same BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-03-30 US disclosed
US-7687496-B2 C7-substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-03-30 US disclosed
US-7687497-B2 C10-substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-03-30 US disclosed
WO-2009051578-A1 C10-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2009-04-23 WO disclosed
WO-2009051580-A1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2009-04-23 WO disclosed
US-20090099224-A1 C7- substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090099166-A1 C10-substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. 2009-04-16 US disclosed
EP-2007386-A2 CAMPTOTHECIN-ANALOG WITH A NOVEL, FLIPPED LACTONE-STABLE, E-RING AND METHODS FOR MAKING AND USING SAME BIONUMERIK PHARMACEUTICALS, INC. (US) 2008-12-31 EP disclosed
US-20080261919-A1 Camptothecin-analog with a novel, \"flipped\" lactone-stable, E-ring and methods for making and using same BIONUMERIK PHARMACEUTICALS, INC. 2008-10-23 US disclosed
WO-2007123995-A2 CAMPTOTHECIN-ANALOG WITH A NOVEL, “FLIPPED” LACTONE-STABLE, E-RING AND METHODS FOR MAKING AND USING SAME BIONUMERIK PHARMACEUTICALS, INC. (US) 2007-11-01 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 (3 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-20090099166-A1 C10-substituted camptothecin analogs ABCB1, ABCC1, TOP1 TOP1 3/4885DDX5 2479/4885MEN1 1708/4885
US-20080261919-A1 Camptothecin-analog with a novel, \"flipped\" lactone-stable, E-ring and methods for making and using same PAICS, FAU, FOLR1 TOP1 26/4885DDX5 1866/4885MEN1 141/4885
US-20090099224-A1 C7- substituted camptothecin analogs ABCB1, ABCC1, ABCG2 TOP1 7/4885DDX5 1541/4885MEN1 2539/4885

“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.