SCHEMBL16892302

SCHEMBL16892302

CCC(=O)c1ccc2c(c1)S(=O)(=O)NC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 16/20 0.53
CA9 Q16790 16/20 0.53
CA2 P00918 14/20 0.52
CA7 P43166 8/20 0.52
CA1 P00915 6/20 0.48
GLO1 Q04760 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
BCHE P06276 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
KMT2A Q03164 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
MAP4K4 O95819 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
SCHEMBL16887653 0.82 CA12 (0.59) CA12CA9CA2CA7CA1
SCHEMBL7280576 0.82 CA12 (0.53) CA12CA9CA2CA7CA1
SCHEMBL3399246 0.80 CA12 (0.59) CA12CA9CA2CA7CA1
SCHEMBL29643009 0.80 CA12 (0.59) CA12CA9CA2CA7CA1
SCHEMBL3637941 0.79 CA12 (0.62) CA12CA9CA2CA7CA1
SCHEMBL29642968 0.79 CA12 (0.62) CA12CA9CA2CA7CA1
SCHEMBL20646818 0.78 CA12 (0.53) CA12CA9CA2CA7CA1
SCHEMBL23889134 0.75 CA12 (0.57) CA12CA9CA2CA7CA1
SCHEMBL8253534 0.74 ATM (0.42) ALDH1A1KDM4EKMT2A
SCHEMBL1249735 0.73 CA12 (0.62) CA12CA9CA2CA7CA1

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-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 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-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA CA12 1524/4885CA9 1580/4885CA2 1566/4885

“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.