SCHEMBL1405643

SCHEMBL1405643

CCC(CC(=O)OC)NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
CA9 Q16790 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CRAT P43155 1/20 0.39
ACACB O00763 2/20 0.38
PLA2G2C Q5R387 7/20 0.38
TSHR P16473 3/20 0.37
PLA2G2A P14555 1/20 0.36
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL11311284 0.89 MGAM (0.44) MGAMGAASIMGAM2CRAT
SCHEMBL21327975 0.84 MGAM (0.46) MGAMGAASIMGAM2CRAT
SCHEMBL11315545 0.80 CRAT (0.37) MGAMGAASIMGAM2CRAT
SCHEMBL7734523 0.80 ALDH1A1 (0.46) CA12MMP1CA9MGAMGAA
SCHEMBL422585 0.79
SCHEMBL9856671 0.78 TSHR (0.40) CA12CA1CA2MMP1MMP2
SCHEMBL7731906 0.78 CRAT (0.41) CA12CA1CA2MMP1MMP2
SCHEMBL12295404 0.78 TSHR (0.40) CA12CA1CA2MMP1MMP2
SCHEMBL1144276 0.78 CRAT (0.41) CA12CA1CA2MMP1MMP2
SCHEMBL1144295 0.78 CRAT (0.41) CA12CA1CA2MMP1MMP2

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-1975170-B9 Bisphosphine ligands for asymmetric syntheses DAIICHI FINE CHEM CO LTD (JP) 2011-11-02 EP disclosed
EP-1975170-B1 Bisphosphine ligands for asymmetric syntheses DAIICHI FINE CHEM CO LTD (JP) 2011-03-09 EP disclosed
US-7569730-B2 Bisphosphine ligand DAIICHI FINE CHEMICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-20080242534-A1 NOVEL BISPHOSPHINE LIGAND DAIICHI FINE CHEMICAL CO., LTD. (JP) 2008-10-02 US disclosed
EP-1975170-A1 Bisphosphine ligands for asymmetric syntheses Daiichi Fine Chemical Co., Ltd. (JP) 2008-10-01 EP disclosed
US-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 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-20080242534-A1 NOVEL BISPHOSPHINE LIGAND GPR4, HRH4, GPR3 CA12 2653/4885CA1 1661/4885CA2 490/4885

“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.