SCHEMBL1824528

SCHEMBL1824528

CC1(C)OC(=O)[C@H]([C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
MCHR1 Q99705 3/20 0.47
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 2/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL2550208 0.79 CHRM4 (0.46) MAPTCHRM1HTTSMN1; SMN2
SCHEMBL2249003 0.79 CHRM4 (0.46) MAPTCHRM1HTTSMN1; SMN2
SCHEMBL3876908 0.79 CHRM4 (0.46) MAPTCHRM1HTTSMN1; SMN2
SCHEMBL1827654 0.75 PPARA (0.43)
SCHEMBL13038889 0.75 MEN1 (0.49) KMT2AMEN1MAPTPOLBMCHR1
SCHEMBL4057431 0.73 MEN1 (0.51) KMT2AMEN1MAPTPOLBMCHR1
SCHEMBL2247219 0.71 CHRM2 (0.51) CHRM1
SCHEMBL27659006 0.71 EPHX2 (0.37) KMT2AMEN1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL1825297 0.71 EPHX2 (0.37) KMT2AMEN1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL13038891 0.70 EPHX2 (0.36) CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660471-B1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2011-05-04 EP disclosed
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors LABORATOIRES SERONO S.A. (CH) 2010-11-04 US disclosed
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors LABORATOIRES SERONO S.A. (CH) 2010-11-04 US disclosed
US-7786121-B2 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2010-08-31 US disclosed
US-7786121-B2 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2010-08-31 US disclosed
US-20060281920-A1 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2006-12-14 US disclosed
EP-1660471-A1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS Vernalis (Oxford) Ltd (GB) 2006-05-31 EP disclosed
WO-2005019194-A1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LIMITED (GB) 2005-03-03 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 (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-20060281920-A1 Derivatives of hydroxamic acid as metalloproteinase inhibitors MMP13, MMP3, MMP1 KMT2A 2069/4885MEN1 3072/4885MAPT 4843/4885
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors MMP3, MMP1, MMP13 KMT2A 1347/4885MEN1 2859/4885MAPT 4094/4885

“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.