SCHEMBL5523734

SCHEMBL5523734

O=C(O)Cc1cccc(NCCBr)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SELP P16109 2/20 0.50
SELE P16581 2/20 0.50
HPSE Q9Y251 2/20 0.50
NR1H4 Q96RI1 5/20 0.48
SELL P14151 1/20 0.47
AKR1B1 P15121 1/20 0.46
PPARG P37231 4/20 0.45
PPARD Q03181 4/20 0.45
PPARA Q07869 4/20 0.45
S1PR5 Q9H228 3/20 0.44
ADRB2 P07550 1/20 0.44
ADRB3 P13945 1/20 0.44
ENPP2 Q13822 1/20 0.44
S1PR4 O95977 3/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL5534461 0.91 SELP (0.48) SELPSELEHPSENR1H4SELL
SCHEMBL12028667 0.83 SLC7A5 (0.48)
SCHEMBL11306547 0.80 HDAC11 (0.51) SELPSELEHPSENR1H4S1PR5
SCHEMBL7339625 0.80 FFAR1 (0.62) AKR1B1S1PR5S1PR4FFAR1
SCHEMBL11935000 0.79 SELP (0.49) SELPSELEHPSENR1H4SELL
SCHEMBL13370136 0.78 SELP (0.56) SELPSELEHPSENR1H4SELL
SCHEMBL11073287 0.76 HPSE (0.52) SELPSELEHPSENR1H4SELL
SCHEMBL3104224 0.76 NR1H4 (0.56) SELPSELEHPSENR1H4SELL
SCHEMBL2468368 0.76 AKR1B1 (0.57) SELPSELEHPSENR1H4SELL
SCHEMBL3273166 0.76 SELP (0.55) SELPSELEHPSENR1H4SELL

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
EP-1728793-B1 9-SUBSTITUTED 8-OXOADENINE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-03 EP disclosed
US-8969362-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2015-03-03 US disclosed
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound ASTRAZENECA AKTIEBOLAG (SE) 2014-02-13 US disclosed
US-8575180-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2013-11-05 US disclosed
US-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND ASTRAZENECA AKTIEBOLAG (SE) 2011-12-15 US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
EP-1728793-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-06 EP 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-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND IFNAR1, IL5, IFNG SELP 4485/4885SELE 3511/4885HPSE 3241/4885
US-20070190071-A1 9-Substituted 8-oxoadenine compound IFNAR1, IL5, IFNG SELP 4485/4885SELE 3511/4885HPSE 3241/4885
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound IFNAR1, IL5, IFNG SELP 4409/4885SELE 3385/4885HPSE 3567/4885

“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.