SCHEMBL2277451

SCHEMBL2277451

COCOc1cc(OS(=O)(=O)c2ccc(C)cc2)ccc1-c1[nH]c2cc(C(=O)OC)ccc2c1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.39
ENPP2 Q13822 3/20 0.39
ENPP3 O14638 2/20 0.39
EGFR P00533 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PARP1 P09874 1/20 0.35
DYRK1A Q13627 1/20 0.35
KIF11 P52732 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL772671 0.88 EGFR (0.41) EGFRALDH1A1KDM4EPARP1DYRK1A
SCHEMBL2281027 0.87 EGFR (0.41) EGFRALDH1A1KDM4EPARP1KIF11
SCHEMBL2273262 0.83 EGFR (0.41) EGFRALDH1A1KDM4EPARP1DYRK1A
SCHEMBL4144217 0.81 PTPN1 (0.36) ENPP1ENPP2ENPP3EGFRLMNA
SCHEMBL4144218 0.81 PTPN1 (0.36) ENPP1ENPP2ENPP3EGFRLMNA
SCHEMBL4144215 0.81 PTPN1 (0.36) ENPP1ENPP2ENPP3EGFRLMNA
SCHEMBL2274017 0.80 SYK (0.38) ALDH1A1KDM4EPARP1KIF11SMN1; SMN2
SCHEMBL2275400 0.76 PARP1 (0.42) ALDH1A1LMNAKDM4EPARP1DYRK1A
SCHEMBL771997 0.75 PARP1 (0.44) ALDH1A1LMNAKDM4EPARP1DYRK1A
Hydrochloric Acid SCHEMBL771482 0.74 PARP1 (0.43) ALDH1A1LMNAKDM4EPARP1DYRK1A

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-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 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-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ ENPP1 3539/4885ENPP2 1409/4885ENPP3 3669/4885

“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.