SCHEMBL2777100

SCHEMBL2777100

Cc1ccc(Oc2ccc3cc(C(C)(N)CO)ccc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD4 Q15561 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP13 P45452 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
PTGS2 P35354 1/20 0.36
AR P10275 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL2449870 1.00 TEAD4 (0.42) TEAD4ALDH1A1MAPTPOLBTDP1
SCHEMBL2452799 0.89 ALDH1A1 (0.46) TEAD4ALDH1A1MAPTNPC1RAB9A
SCHEMBL2778278 0.89 ALDH1A1 (0.46) TEAD4ALDH1A1MAPTNPC1RAB9A
SCHEMBL2451911 0.89 RAB9A (0.51) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL2455599 0.89 RAB9A (0.51) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL2774910 0.86 MAPK14 (0.41) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL2451413 0.86 PDE4A (0.41) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL2451241 0.86 MAPK14 (0.41) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL2776241 0.86 PDE4A (0.41) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL2449338 0.86 KMT2A (0.43) ALDH1A1MAPTTDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US claimed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US claimed
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 TEAD4 4061/4885ALDH1A1 3931/4885MAPT 3464/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 TEAD4 3036/4885ALDH1A1 4095/4885MAPT 4541/4885

“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.