SCHEMBL1048715

SCHEMBL1048715

O=S(=O)(NC1CCCCC1)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.61
CA7 P43166 3/20 0.61
CA14 Q9ULX7 3/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.54
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HSP90AA1 P07900 2/20 0.38

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
SCHEMBL18855930 0.97 CA12 (0.56) CA12CA7CA14CA1CA2
SCHEMBL11134361 0.95 CA12 (0.61) CA12CA7CA14CA1CA2
SCHEMBL6057631 0.95 CA12 (0.61) CA12CA7CA14CA1CA2
SCHEMBL12970652 0.87 CA12 (0.50) CA12CA7CA14CA1CA2
SCHEMBL24773688 0.87 CA12 (0.55) CA12CA7CA14CA1CA2
SCHEMBL8483452 0.85 CA12 (0.50) CA12CA7CA14CA1CA2
SCHEMBL28413065 0.82 CA12 (0.52) CA12CA7CA14CA1CA2
SCHEMBL28410020 0.79 CA12 (0.48) CA12CA7CA14CA1CA2
SCHEMBL28419752 0.78 CYP3A4 (0.45) CA12CA7CA14CA1CA2
SCHEMBL8055346 0.76 CA12 (0.44) CA12CA7CA14CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
WO-2007129195-A2 4-PYRIMIDINE-5-AMINO-PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-15 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-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 CA12 4769/4885CA7 1807/4885CA14 4806/4885

“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.