SCHEMBL3483414

SCHEMBL3483414

[CH2]CN(Cc1ccc(F)cc1)C(=O)NCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
HPGD P15428 2/20 0.46
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 2/20 0.41
SOAT1 P35610 1/20 0.41
YAP1 P46937 1/20 0.41
TEAD4 Q15561 1/20 0.41
TEAD2 Q15562 1/20 0.41
ACKR3 P25106 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3673109 0.89 ALDH1A1 (0.49) MAPK1HPGDHDAC1HDAC3HDAC2
SCHEMBL3482745 0.87 HPGD (0.47) MAPK1HPGDHDAC1HDAC3HDAC2
SCHEMBL3483294 0.86 PTGES (0.53) HPGDHDAC1HDAC6LTB4R2TMEM97
SCHEMBL3482761 0.78 HDAC3 (0.44) MAPK1HPGDHDAC1HDAC3HDAC2
SCHEMBL14288523 0.77 PTGES (0.61) HPGDHDAC1HDAC3HDAC6LTB4R2
SCHEMBL3482840 0.73 EPHX1 (0.42) HTT
SCHEMBL14174777 0.72 HPGD (0.52) HPGDHDAC1HDAC3HDAC2HDAC6
SCHEMBL29221801 0.71 PTGES (0.59) HPGDTMEM97SIGMAR1HTT
SCHEMBL28740692 0.71 POLB (0.51) HPGDHDAC1HDAC3HDAC2HDAC6
SCHEMBL3483241 0.71 TDP1 (0.46) HPGDPOLBAPEX1TDP1YAP1

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-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 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 (4 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R MAPK1 791/4885HPGD 24/4885HDAC1 1090/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 MAPK1 1651/4885HPGD 105/4885HDAC1 1426/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 MAPK1 1651/4885HPGD 105/4885HDAC1 1426/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 MAPK1 1651/4885HPGD 105/4885HDAC1 1426/4885

“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.