SCHEMBL11908027

SCHEMBL11908027

COC(=O)c1ccc(-c2c(F)cnc3c2c2cc(-c4cccnc4)ncc2n3S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 1/20 0.39
NR4A2 P43354 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
SRC P12931 1/20 0.35
ABCB1 P08183 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NEK1 Q96PY6 1/20 0.35
CYP2C9 P11712 1/20 0.35
CKS1B P61024 1/20 0.35
SKP2 Q13309 1/20 0.35
FBP1 P09467 1/20 0.34
LATS1 O95835 1/20 0.34
CYP2A6 P11509 1/20 0.34
EGFR P00533 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL473669 0.91 PTPN11 (0.39) CYP11B1CYP11B2PTGDR2SMN1; SMN2CYP2C9
SCHEMBL1560920 0.87 CYP11B1 (0.38) CYP11B1CYP11B2SMN1; SMN2CKS1BSKP2
SCHEMBL11929456 0.85 SLC2A1 (0.44) SLC2A1CYP11B1CYP11B2CYP19A1NR4A2
SCHEMBL1560999 0.84 ABCB1 (0.37) CYP11B1CYP11B2PTGDR2ABCB1SMN1; SMN2
SCHEMBL1561368 0.84 POLB (0.36) CYP11B1CYP11B2PTGDR2ABCB1SMN1; SMN2
SCHEMBL2218828 0.83 PIM1 (0.41) CYP11B1CYP11B2PTGDR2SMN1; SMN2CYP2C9
SCHEMBL1559921 0.83 ABCB1 (0.41) CYP11B1CYP11B2ABCB1CKS1BSKP2
SCHEMBL1560996 0.82 CTPS1 (0.40) CYP11B1CYP11B2CKS1BSKP2
SCHEMBL2220367 0.82 CYP2A6 (0.40) CYP11B1CYP11B2PTGDR2SMN1; SMN2CYP2C9
SCHEMBL473708 0.82 CYP2A6 (0.40) CYP11B1CYP11B2PTGDR2SMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-16 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-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NPR3, CCNH, CBR3 SLC2A1 4284/4885CYP11B1 422/4885CYP11B2 376/4885

“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.