SCHEMBL1826682

SCHEMBL1826682

CCOc1ccc(CCCC(C(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C2OC(C)(C)OC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42
APOBEC3A P31941 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
LMNA P02545 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
DPP4 P27487 1/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL8292218 1.00 PKM (0.43) PKMSMN1; SMN2YAP1TEAD4TEAD2
SCHEMBL1828390 0.83 ALDH1A1 (0.41) SMN1; SMN2L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL2252368 0.81 MEN1 (0.37) SMN1; SMN2YAP1NPC1RAB9AALDH1A1
SCHEMBL8270754 0.80 ACACB (0.41) PKMSMN1; SMN2L3MBTL1LMNANPC1
SCHEMBL2249495 0.80 ACACB (0.41) PKMSMN1; SMN2L3MBTL1LMNANPC1
SCHEMBL2244670 0.80 ADORA3 (0.43) L3MBTL1LMNAALDH1A1CYP2D6
SCHEMBL2241918 0.79 LIPE (0.40) LMNA
SCHEMBL2248042 0.79 MAPT (0.38) PKMSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL2252065 0.79 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1LMNACYP1A2CYP3A4
SCHEMBL2247202 0.79 ALDH1A1 (0.43) PKMSMN1; SMN2L3MBTL1LMNAALDH1A1

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 6 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-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 PKM 4272/4885SMN1; SMN2 903/4885YAP1 2168/4885
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors MMP3, MMP1, MMP13 PKM 3818/4885SMN1; SMN2 2735/4885YAP1 3060/4885

“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.