SCHEMBL3579862

SCHEMBL3579862

CC(=O)NC(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LY96 Q9Y6Y9 1/20 0.44
ACACB O00763 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KDM4A O75164 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
TACR1 P25103 2/20 0.41
PPARG P37231 2/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
ABCB1 P08183 1/20 0.40
BCL2 P10415 1/20 0.40
P2RX7 Q99572 2/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL3579864 1.00 LY96 (0.44) LY96ACACBKDM4EKDM4APOLB
SCHEMBL1827227 0.90 ITGB3 (0.51) ITGB3ITGA2BABCB1BCL2P2RX7
SCHEMBL1827228 0.90 ITGB3 (0.51) ITGB3ITGA2BABCB1BCL2P2RX7
SCHEMBL2863821 0.88 KDM4E (0.43) LY96ACACBKDM4EKDM4APOLB
SCHEMBL2863819 0.88 KDM4E (0.43) LY96ACACBKDM4EKDM4APOLB
SCHEMBL1827500 0.87 ITGB3 (0.45) ACACBPOLBITGB3ITGA2BTACR1
SCHEMBL1827501 0.87 ITGB3 (0.45) ACACBPOLBITGB3ITGA2BTACR1
SCHEMBL1824980 0.86 TACR1 (0.43) POLBMAPTTDP1MMP1MMP3
SCHEMBL1823159 0.85 KDM4E (0.53) KDM4EKDM4APOLBMAPTTDP1
SCHEMBL1823157 0.85 KDM4E (0.53) KDM4EKDM4APOLBMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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 (2 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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 LY96 4530/4885ACACB 2993/4885KDM4E 2554/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 LY96 4763/4885ACACB 2259/4885KDM4E 2704/4885

“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.