SCHEMBL1180403

SCHEMBL1180403

CC(=O)c1ccc(C2OCC(C)(C)CO2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.69
RAB9A P51151 3/20 0.69
NPC1 O15118 2/20 0.69
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 4/20 0.40
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 2/20 0.39
CYP2C19 P33261 1/20 0.39
CYP11B2 P19099 1/20 0.39
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HSD17B1 P14061 1/20 0.36

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
SCHEMBL14930911 0.86 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL18119744 0.83 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1MAPK1LMNA
SCHEMBL12883812 0.83 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL22160331 0.82 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1MAPK1LMNA
SCHEMBL1429353 0.82 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1MAPK1LMNA
SCHEMBL18124435 0.80 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1MAPK1LMNA
SCHEMBL19923127 0.78 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL18119746 0.77 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1MAPK1LMNA
SCHEMBL9946140 0.77 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1MAPK1LMNA
SCHEMBL11460056 0.76 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298291-A2 Kinase inhibitors for treating cancers Agennix USA Inc. (US) 2011-03-23 EP disclosed
EP-2298292-A2 Kinase inhibitors for treating cancers Agennix USA Inc. (US) 2011-03-23 EP disclosed
EP-2298292-A2 Kinase inhibitors for treating cancers Agennix USA Inc. (US) 2011-03-23 EP disclosed
EP-2298291-A2 Kinase inhibitors for treating cancers Agennix USA Inc. (US) 2011-03-23 EP disclosed
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
EP-2027853-A2 Kinase inhibitors for treating cancers GPC Biotech Inc. (US) 2009-02-25 EP disclosed
US-20080146555-A1 Uses of Kinase Inhibitors and Compositions Thereof GPC BIOTECH, INC (US) 2008-06-19 US disclosed
US-20080146555-A1 Uses of Kinase Inhibitors and Compositions Thereof GPC BIOTECH, INC (US) 2008-06-19 US disclosed
US-20080146555-A1 Uses of Kinase Inhibitors and Compositions Thereof GPC BIOTECH, INC (US) 2008-06-19 US disclosed
EP-1763345-A2 KINASE INHIBITORS FOR TREATING CANCERS GPC Biotech Inc. (US) 2007-03-21 EP disclosed
WO-2006002119-A2 KINASE INHIBITORS FOR TREATING CANCERS GPC BIOTECH, INC. (US) 2006-01-05 WO disclosed
EP-1611136-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO GPC Biotech Inc. (US) 2006-01-04 EP disclosed
US-20040266854-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH, INC. (US) 2004-12-30 US disclosed
US-20040266853-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH, INC. (US) 2004-12-30 US disclosed
WO-2004092139-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO GPC BIOTECH, INC. (US) 2004-10-28 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-20040266853-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI SMN1; SMN2 4027/4885RAB9A 2998/4885NPC1 3626/4885
US-20080146555-A1 Uses of Kinase Inhibitors and Compositions Thereof CCNK, CDK3, CDK6 SMN1; SMN2 2602/4885RAB9A 2051/4885NPC1 3881/4885
US-20040266854-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI SMN1; SMN2 4027/4885RAB9A 2998/4885NPC1 3626/4885

“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.