SCHEMBL3242802

SCHEMBL3242802

C[C@H](C(=O)O)c1cccc(CBr)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.54
PTGS1 P23219 10/20 0.54
CXCR1 P25024 4/20 0.54
CXCR2 P25025 4/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 3/20 0.54
SLC22A6 Q4U2R8 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PMP22 Q01453 2/20 0.54
CXCL8 P10145 2/20 0.54
HPGD P15428 2/20 0.54
HIF1A Q16665 2/20 0.54
RECQL P46063 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
THPO P40225 1/20 0.54
AKR1C3 P42330 4/20 0.47

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
SCHEMBL2391075 1.00 PTGS2 (0.54) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL10276277 1.00 PTGS2 (0.54) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL27697908 0.88 PTGS1 (0.40) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL9425565 0.84 PTGS2 (0.56) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL3674499 0.84 PTGS2 (0.69) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL66534 0.83 PTGS2 (0.64) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL2319534 0.83 PTGS2 (0.58) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL1345158 0.83 PTGS2 (0.64) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL29393183 0.83 PTGS2 (0.64) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL6903957 0.83 PTGS2 (0.58) PTGS2PTGS1CXCR1CXCR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20060052403-A1 Novel adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-09 US disclosed
EP-1550662-A1 NOVEL ADENINE COMPOUND AND USE THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-07-06 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 (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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 PTGS2 1603/4885PTGS1 1141/4885CXCR1 197/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 PTGS2 1603/4885PTGS1 1141/4885CXCR1 197/4885

“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.