SCHEMBL516646

SCHEMBL516646

O=C(O)CN(CC(=O)O)c1cccc(Oc2ccccc2)c1.O=C1CN(c2cccc(Oc3ccccc3)c2)CC(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPOR P19235 1/20 0.40
FFAR1 O14842 2/20 0.39
CETP P11597 5/20 0.39
FAAH O00519 2/20 0.37
DAGLA Q9Y4D2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
MMP16 P51512 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL516663 0.83 FFAR1 (0.47) FFAR1FAAHFFAR4HSD17B10CTSG
SCHEMBL515912 0.82 EPOR (0.54) EPORCETPDAGLASMN1; SMN2
SCHEMBL13420446 0.69 KMT2A (0.53) FFAR1CETPSMN1; SMN2HSD17B10
SCHEMBL515961 0.69 SMN1; SMN2 (0.62) EPORFFAR1SMN1; SMN2MMP1MMP2
SCHEMBL9795739 0.69 EPOR (0.51) EPORFFAR1DAGLASMN1; SMN2FFAR4
SCHEMBL342248 0.68 LMNA (0.54)
SCHEMBL3838526 0.67 NPC1 (0.45) SMN1; SMN2HSD17B10
SCHEMBL340808 0.67 CRHBP (0.47)
SCHEMBL13444616 0.65 TDP1 (0.37)
SCHEMBL17975523 0.64 MTNR1A (0.52)

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-2046739-B1 SUBSTITUTED ANILINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2015-08-26 EP disclosed
US-8624022-B2 Substituted aniline derivatives UCB PHARMA, S.A. (BE) 2014-01-07 US disclosed
US-20120029188-A1 Substituted Aniline Derivatives UCB PHARMA S.A. (BE) 2012-02-02 US disclosed
US-8071582-B2 Substituted aniline derivatives UCB PHARMA S.A. (BE) 2011-12-06 US disclosed
US-20110014271-A1 Substituted Aniline Derivatives UCB PHARMA S.A. (BE) 2011-01-20 US disclosed
US-7678785-B2 Substituted aniline derivatives UCB PHARMA S.A. (BE) 2010-03-16 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-20120029188-A1 Substituted Aniline Derivatives NAT1, DPM1, IL4I1 EPOR 1905/4885FFAR1 2748/4885CETP 4432/4885
US-20110014271-A1 Substituted Aniline Derivatives NAT1, DPM1, IL4I1 EPOR 1905/4885FFAR1 2748/4885CETP 4432/4885

“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.