SCHEMBL17208679

SCHEMBL17208679

COS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.65
CA1 P00915 4/20 0.65
CA2 P00918 4/20 0.65
CA9 Q16790 4/20 0.65
HPGD P15428 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 2/20 0.51
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GPR35 Q9HC97 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 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
SCHEMBL10915552 0.87 GPR35 (0.51) CA12CA1CA2CA9HPGD
SCHEMBL9574404 0.81 VCAM1 (0.47) CA12CA1CA2CA9HPGD
SCHEMBL8150946 0.81 CA12 (0.71) CA12CA1CA2CA9HPGD
SCHEMBL31080938 0.80 CA12 (0.76) CA12CA1CA2CA9HPGD
SCHEMBL69006 0.80 CA12 (0.76) CA12CA1CA2CA9HPGD
SCHEMBL6513677 0.80 VCAM1 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL9488387 0.80 VCAM1 (0.63) ALDH1A1VCAM1
SCHEMBL27776990 0.80 VCAM1 (0.67) CA12CA1CA2CA9ALDH1A1
SCHEMBL1645883 0.80 ALDH1A1 (0.62) CA12CA1CA2CA9HPGD
SCHEMBL6518707 0.80 VCAM1 (0.41) CA12CA1CA2CA9ALDH1A1

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-9540368-B2 1H-pyrrolo[2,3-c]pyridin-7(6H)-ones and pyrazolo[3,4-c]pyridin-7(6H)-ones as inhibitors of BET proteins INCYTE CORPORATION (US) 2017-01-10 US disclosed
US-9540368-B2 1H-pyrrolo[2,3-c]pyridin-7(6H)-ones and pyrazolo[3,4-c]pyridin-7(6H)-ones as inhibitors of BET proteins INCYTE CORPORATION (US) 2017-01-10 US disclosed
US-20150307493-A1 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS INCYTE CORPORATION (US) 2015-10-29 US disclosed
US-20150307493-A1 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS INCYTE CORPORATION (US) 2015-10-29 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-20150307493-A1 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS BRD3, BRD1, BRD2 CA12 4880/4885CA1 4874/4885CA2 4825/4885

“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.