SCHEMBL6397355

SCHEMBL6397355

O=C(OCc1ccccc1)N1CCC(S(=O)(=O)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.50
MMP2 P08253 2/20 0.50
EPHX2 P34913 2/20 0.49
FAAH O00519 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.47
ENPP2 Q13822 3/20 0.47
CHRM4 P08173 1/20 0.45
ATXN2 Q99700 1/20 0.44
P2RY1 P47900 1/20 0.44
HTT P42858 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
MMP12 P39900 1/20 0.43
MMP14 P50281 1/20 0.43
FPR2 P25090 2/20 0.43
PROKR1 Q8TCW9 2/20 0.43
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42

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
SCHEMBL6397014 0.84 MMP13 (0.53) MMP13MMP2EPHX2FAAHMMP12
SCHEMBL6401146 0.81 GPR119 (0.59) MMP13MMP2MMP12MMP14FPR2
SCHEMBL13198831 0.78 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL1648387 0.77 SMN1; SMN2 (0.61) EPHX2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4344327 0.77 SMN1; SMN2 (0.61) MMP2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL1649138 0.77 SMN1; SMN2 (0.61) EPHX2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3028128 0.77 POLB (0.56) MMP13MMP2EPHX2FAAHSMN1; SMN2
SCHEMBL30120062 0.76 SMN1; SMN2 (0.60) EPHX2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4717723 0.76 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19ENPP2
SCHEMBL1650184 0.76 SMN1; SMN2 (0.60) MMP2EPHX2FAAHSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043533-A1 Process for making alpha-substituted hydroxamic acids PHARMACIA CORPORATION 2005-02-24 US disclosed
WO-2004091549-A2 PROCESS FOR MAKING ALPHA-SUBSTITUTED HYDROXAMIC ACIDS PHARMACIA CORPORATION (US) 2004-10-28 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-20050043533-A1 Process for making alpha-substituted hydroxamic acids HAAO, RIMKLA, ASPH MMP13 104/4885MMP2 1180/4885EPHX2 91/4885

“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.