SCHEMBL1184763

SCHEMBL1184763

Cc1ccc2c(c1)NC(=O)CC(C(=O)O)C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
BRD4 O60885 2/20 0.46
CREBBP Q92793 2/20 0.46
EPHX2 P34913 1/20 0.41
MMP12 P39900 1/20 0.40
SIRT1 Q96EB6 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPN7 P35236 1/20 0.38
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ACHE P22303 1/20 0.36
THRB P10828 1/20 0.35
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL12217647 0.85 BRD4 (0.43) ALDH1A1BRD4CREBBPEPHX2MMP12
SCHEMBL2258919 0.83 ALDH1A1 (0.49) ALDH1A1BRD4CREBBPSIRT1HSD17B10
SCHEMBL2256845 0.80 ALDH1A1 (0.46) ALDH1A1BRD4CREBBPHSD17B10MEN1
SCHEMBL11775988 0.79 ALDH1A1 (0.67) ALDH1A1BRD4CREBBPKDM4EHSD17B10
SCHEMBL1185886 0.74 ALDH1A1 (0.49) ALDH1A1CREBBPMEN1KMT2AACHE
SCHEMBL28389652 0.74 ACHE (0.60) ALDH1A1SIRT1KDM4EHSD17B10MEN1
SCHEMBL1184785 0.74 PDE3B (0.55) ALDH1A1KDM4ESMN1; SMN2KMT2AACHE
SCHEMBL1186567 0.73 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL2254488 0.70 PLK1 (0.37) ALDH1A1BRD4CREBBPKDM4EHSD17B10
SCHEMBL1184778 0.70 CES1 (0.40) BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 EP disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-7935694-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
US-20060100194-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2006-05-11 US 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 (4 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-20060100194-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885BRD4 701/4885CREBBP 748/4885
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885BRD4 701/4885CREBBP 748/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885BRD4 701/4885CREBBP 748/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885BRD4 701/4885CREBBP 748/4885

“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.