SCHEMBL516663

SCHEMBL516663

O=C1CN(c2cccc(Oc3ccccc3)c2)CC(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
CTSG P08311 2/20 0.46
CMA1 P23946 2/20 0.46
MGLL Q99685 3/20 0.45
MAOB P27338 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
FAAH O00519 2/20 0.42
AKR1C3 P42330 1/20 0.41
ACHE P22303 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
NTRK1 P04629 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
SCHEMBL3838526 0.80 NPC1 (0.45) MGLLAKR1C3NPC1RAB9AHSD17B10
SCHEMBL10221049 0.74 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HSD17B10ALDH1A1
SCHEMBL11510734 0.74 SLC6A2 (0.52) FFAR1FFAR4MAOBSLC6A2SLC6A4
SCHEMBL5736692 0.73 CTSG (0.51) FFAR1FFAR4CTSGCMA1MGLL
SCHEMBL30228382 0.73 SLC6A2 (0.51) FFAR1FFAR4MAOBSLC6A2SLC6A4
SCHEMBL28906705 0.71 PARP14 (0.48) FFAR1FFAR4MAOBSLC6A2SLC6A4
SCHEMBL4671118 0.70 LTA4H (0.75) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL4671113 0.70 SLC6A2 (0.49) FFAR1FFAR4MGLLMAOBSLC6A2
SCHEMBL4263923 0.69 MGLL (0.73) MGLLMAOBFAAHAKR1C3ALDH1A1
SCHEMBL27863609 0.68 MGLL (0.71) MGLLMAOBFAAHAKR1C3ALDH1A1

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 23 patents — showing the first 20. 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
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-8624022-B2 Substituted aniline derivatives UCB PHARMA, S.A. (BE) 2014-01-07 US 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-20120029188-A1 Substituted Aniline Derivatives UCB PHARMA S.A. (BE) 2012-02-02 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-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
US-7678785-B2 Substituted aniline derivatives UCB PHARMA S.A. (BE) 2010-03-16 US disclosed
US-7678785-B2 Substituted aniline derivatives UCB PHARMA S.A. (BE) 2010-03-16 US disclosed
EP-2046739-A1 SUBSTITUTED ANILINE DERIVATIVES UCB Pharma S.A. (BE) 2009-04-15 EP disclosed
US-20080045497-A1 SUBSTITUTED ANILINE DERIVATIVES UCB PHARMA S.A. (BE) 2008-02-21 US disclosed
US-20080045497-A1 SUBSTITUTED ANILINE DERIVATIVES UCB PHARMA S.A. (BE) 2008-02-21 US disclosed
US-20080045497-A1 SUBSTITUTED ANILINE DERIVATIVES UCB PHARMA S.A. (BE) 2008-02-21 US disclosed
WO-2008012524-A1 SUBSTITUTED ANILINE DERIVATIVES UCB PHARMA S.A. (BE) 2008-01-31 WO disclosed
WO-2008012524-A1 SUBSTITUTED ANILINE DERIVATIVES UCB PHARMA S.A. (BE) 2008-01-31 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 (3 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 FFAR1 2748/4885FFAR4 2934/4885CTSG 2097/4885
US-20080045497-A1 SUBSTITUTED ANILINE DERIVATIVES DPM1, ERG28, IL4I1 FFAR1 2627/4885FFAR4 2318/4885CTSG 3760/4885
US-20110014271-A1 Substituted Aniline Derivatives NAT1, DPM1, IL4I1 FFAR1 2748/4885FFAR4 2934/4885CTSG 2097/4885

“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.