SCHEMBL3141597

SCHEMBL3141597

CCC(O)(CC(=O)OC(C)(C)C)c1cc[nH]c(=O)c1OC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
STING1 Q86WV6 1/20 0.32
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL3141578 0.76 SLC13A5 (0.33) STING1MTNR1AMTNR1B
SCHEMBL7248539 0.73 JAK2 (0.32) JAK2JAK1JAK3
SCHEMBL5862668 0.67 SLC13A5 (0.32) STING1
SCHEMBL31700402 0.65 BRD4 (0.33)
SCHEMBL7359106 0.62 MTNR1A (0.39) JAK2JAK1JAK3MTNR1AMTNR1B
SCHEMBL14829330 0.61 ALDH1A1 (0.52) JAK2JAK3
SCHEMBL14848190 0.60 NAPRT (0.48)
Hydrochloric Acid SCHEMBL27340187 0.60 RAB9A (0.45) MTNR1AMTNR1B
SCHEMBL7413081 0.59 PDPK1 (0.39)
SCHEMBL18152647 0.59 CYP19A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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
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
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
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 (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-20080261919-A1 Camptothecin-analog with a novel, \"flipped\" lactone-stable, E-ring and methods for making and using same PAICS, FAU, FOLR1 JAK2 3712/4885JAK1 4297/4885JAK3 4141/4885

“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.