SCHEMBL4625290

SCHEMBL4625290

CC(=O)c1ccc(C(O)CNC(C)CO)cc1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.46
ADRB2 P07550 9/20 0.46
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 5/20 0.46
LMNA P02545 4/20 0.46
ADRA1D P25100 4/20 0.46
ADRA1A P35348 4/20 0.46
ADRA1B P35368 4/20 0.46
CYP1A2 P05177 4/20 0.46
HIF1A Q16665 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
CYP2D6 P10635 3/20 0.46
NFKB1 P19838 3/20 0.46
ADRA2A P08913 2/20 0.46
DRD3 P35462 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTR1A P08908 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL4626897 0.76 MAPT (0.73) ADRB1ADRB2KDM4EHSD17B10LMNA
SCHEMBL4628378 0.75 ADRB2 (0.49) ADRB1ADRB2KDM4EHSD17B10LMNA
SCHEMBL4628645 0.74 CYP2D6 (0.75) ADRB1ADRB2CYP1A2HIF1ACYP2D6
SCHEMBL4877935 0.73 ADRB2 (0.67) ADRB1ADRB2KDM4EHSD17B10LMNA
SCHEMBL12186444 0.73 ADRB2 (0.50) ADRB1ADRB2KDM4EHSD17B10LMNA
SCHEMBL12186437 0.73 ADRB2 (0.50) ADRB1ADRB2KDM4EHSD17B10LMNA
SCHEMBL4397425 0.72 DPP4 (0.41) SMN1; SMN2MAPTALOX15
SCHEMBL29279726 0.72 UGT2B7 (0.44) HSD17B10ALDH1A1HPGDCYP2D6DRD3
SCHEMBL30744065 0.72 UGT2B7 (0.44) HSD17B10ALDH1A1HPGDCYP2D6DRD3
SCHEMBL12186435 0.72 ADRB2 (0.49) ADRB1ADRB2KDM4EHSD17B10LMNA

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
US-20080306162-A1 Treatment of Inflammatory Disorders and Pain SOSEI R&D LTD. (GB) 2008-12-11 US claimed
US-20080306162-A1 Treatment of Inflammatory Disorders and Pain SOSEI R&D LTD. (GB) 2008-12-11 US disclosed
EP-1896393-A1 THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN Sosei R&D Ltd. (GB) 2008-03-12 EP disclosed
WO-2007003896-A1 THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN SOSEI R & D LTD. (GB) 2007-01-11 WO 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 (1 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-20080306162-A1 Treatment of Inflammatory Disorders and Pain HRH3, OPRL1, HRH2 ADRB1 198/4885ADRB2 131/4885KDM4E 4530/4885

“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.