SCHEMBL2777005

SCHEMBL2777005

CC1(C)OCC(NC(=O)O)(c2ccc3cc(Oc4cccc(C(F)(F)F)c4)ccc3c2)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.43
LMNA P02545 1/20 0.43
SCN9A Q15858 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
MAPT P10636 1/20 0.41
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
KIF11 P52732 1/20 0.39
PPARG P37231 2/20 0.38
FAAH O00519 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MAPK14 Q16539 2/20 0.38

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
SCHEMBL2482434 0.81 SCN9A (0.37) PTGER4LMNASCN9ASCN10AMAPT
SCHEMBL2449339 0.71 KIF11 (0.46) LMNASCN9AMAPTMMP2MMP3
SCHEMBL2449344 0.71 KIF11 (0.46) LMNASCN9AMAPTMMP2MMP3
SCHEMBL25310148 0.66 SCN9A (0.53) SCN9AFAAHTRPV1
SCHEMBL11071994 0.66 MAOB (0.63) MAPTCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL12344365 0.65 THRA (0.36) FAAHMEN1KMT2A
SCHEMBL14384680 0.65 MTNR1A (0.66) LMNAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2450106 0.65 TLR4 (0.38) LMNAMAPTMMP2MMP3MMP9
SCHEMBL693792 0.64 NR4A2 (0.62) CYP2C9PPARGMAPK14TLR8TLR7
SCHEMBL27579381 0.64 LTA4H (0.59) SCN9AMAPTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP disclosed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US disclosed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US disclosed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 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-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 PTGER4 1209/4885LMNA 3016/4885SCN9A 3035/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 PTGER4 1437/4885LMNA 2435/4885SCN9A 2265/4885

“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.