SCHEMBL7607750

SCHEMBL7607750

CCOC(=O)CC1(CC(=O)OCC)C(=O)Nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
ADCY8 P40145 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
BRD4 O60885 1/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL735234 0.85 IDO1 (0.59) SMN1; SMN2TSHRHSD17B10IDO1TDO2
SCHEMBL12747117 0.84 PDK2 (0.46) SMN1; SMN2TSHRHSD17B10IDO1TDO2
SCHEMBL7610577 0.81 SMN1; SMN2 (0.47) SMN1; SMN2IDO1TDO2ALDH1A1LMNA
SCHEMBL18552440 0.79 ALDH1A1 (0.43) SMN1; SMN2TSHRHSD17B10IDO1TDO2
SCHEMBL7609094 0.78 SMN1; SMN2 (0.55) SMN1; SMN2IDO1TDO2ALDH1A1LMNA
SCHEMBL14609116 0.78 BRD4 (0.40) SMN1; SMN2TSHRIDO1ADCY8ALDH1A1
SCHEMBL29695374 0.76 PDK2 (0.57) SMN1; SMN2LMNAPDK2PDK4GAA
SCHEMBL3520823 0.76 PDK2 (0.57) SMN1; SMN2LMNAPDK2PDK4GAA
SCHEMBL24390030 0.75 PPID (0.43) SMN1; SMN2TSHRHSD17B10IDO1TDO2
SCHEMBL7610094 0.75 SMN1; SMN2 (0.42) SMN1; SMN2IDO1TDO2ADCY8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749994-B2 Pentacyclic kinase inhibitors GENENTECH, INC. (US) 2010-07-06 US disclosed
US-7749994-B2 Pentacyclic kinase inhibitors GENENTECH, INC. (US) 2010-07-06 US disclosed
WO-2007022102-A2 PENTACYCLIC KINASE INHIBITORS GENENTECH, INC. (US) 2007-02-22 WO disclosed
US-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals HOFFMAN-LAROUCHE, INC. 2007-02-15 US disclosed
US-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals HOFFMAN-LAROUCHE, INC. 2007-02-15 US disclosed
EP-0685463-B1 INDOLIN-2-ONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2002-05-22 EP disclosed
US-6207836-B1 Indolin-2-one derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-03-27 US disclosed
US-6127544-A 1-SUBSTITUTED-3-UREIDO-INDOLIN-2-ONES WHICH EXHIBIT SELECTIVE ANTAGONISM AGAINST GASTRIN RECEPTORS WITHOUT CAUSING SIDE EFFECTS ATTRIBUTED TO CCK-A RECEPTOR ANTAGONISM; SUCH AS FOR TREATMENT OF PEPTIC ULCERS, GASTRITIS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-10-03 US disclosed
US-6114536-A ANTAGONISM AGAINST GASTRIN RECEPTORS WITHOUT CAUSING SIDE EFFECTS ATTRIBUTED TO CCK-A RECEPTOR ANTAGONISM AND ARE USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES OF DIGESTIVE ORGANS, SUCH AS PEPTIC ULCER, GASTRITIS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-09-05 US disclosed
US-6031111-A Indolin-2-one derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-02-29 US disclosed
US-5952511-A EXHIBITS SELECTIVE ANTAGONISM AGAINST GASTRIN RECEPTOR WITHOUT CAUSING SIDE EFFECTS ATTRIBUTED TO GASTRIN RECEPTOR ANTAGONISM AND USEFUL FOR TREATING PEPTIC ULCER, GASTRITIS, REFLUX ESOPHAGITIS AND ZOLLINGER-ELLISON SYNDROME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-09-14 US disclosed
EP-0685463-A1 INDOLIN-2-ONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-12-06 EP 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-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals RAF1, CHEK1, BRAF SMN1; SMN2 3254/4885TSHR 793/4885HSD17B10 4208/4885

“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.