SCHEMBL4576366

SCHEMBL4576366

COC(=O)c1ccc(COS(C)(=O)=O)c(N(C)C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 4/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.36
VCAM1 P19320 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
XDH P47989 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
SCHEMBL4577615 0.78 ALDH1A1 (0.38) CYP2C9ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL213000 0.78 KDM4E (0.44) CYP2C9ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL31385433 0.74 MAPT (0.50) CYP2C9ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL31385413 0.74 RORC (0.44) ALDH1A1KDM4ESMN1; SMN2HSD17B10TSHR
SCHEMBL31356459 0.74 NOTUM (0.44) CYP2C9ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL20344535 0.70 CYP1A2 (0.44) ALDH1A1KDM4EHSD17B10CYP1A2CYP2C19
SCHEMBL31385470 0.70 KDM4E (0.45) CYP2C9ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8736484 0.70 LOXL2 (0.56) ALDH1A1KDM4ESMN1; SMN2HSD17B10TSHR
SCHEMBL21843484 0.69 POLB (0.47) CYP2C9ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL6389243 0.68 LOXL2 (0.60) ALDH1A1KDM4ESMN1; SMN2TSHRRAB9A

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-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 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 (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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 CYP2C9 218/4885ALDH1A1 97/4885KDM4E 3369/4885

“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.