SCHEMBL6747635

SCHEMBL6747635

CCOC(=O)/C=C/c1ccc2c(c1)Nc1nccnc1S2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
TTR P02766 1/20 0.47
DPP4 P27487 1/20 0.47
ICAM1 P05362 12/20 0.47
FDPS P14324 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAOB P27338 1/20 0.44
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RY12 Q9H244 1/20 0.41

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
SCHEMBL6752240 0.83 ICAM1 (0.49) ICAM1KDM4EGAAMAPTHPGD
SCHEMBL7142386 0.81 ICAM1 (0.51) ICAM1
SCHEMBL6745335 0.81 ICAM1 (0.46) ICAM1KDM4EGAAMAPTHPGD
SCHEMBL6751770 0.77 ICAM1 (0.55) ICAM1KDM4EGAAMAPTHPGD
SCHEMBL6749569 0.75 KDM4E (0.56) ICAM1KDM4EGAAMAPTHPGD
SCHEMBL20153780 0.71 TTR (0.61) ALOX5TTRDPP4FDPSCA12
SCHEMBL6747757 0.70 ICAM1 (0.59) ICAM1
SCHEMBL21633161 0.69 TTR (0.60) ALOX5TTRDPP4FDPSCA12
SCHEMBL21633159 0.69 TTR (0.60) ALOX5TTRDPP4FDPSCA12
SCHEMBL10939791 0.69 CA12 (0.86) ALOX5TTRDPP4FDPSCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 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 (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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 ALOX5 1171/4885TTR 1382/4885DPP4 633/4885

“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.