Sugi Predict

Sugi Predict / Compounds / SCHEMBL473729

SCHEMBL473729

SCHEMBL473729

Cc1ccc(S(=O)(=O)n2c3cnc(Cl)cc3c3c(I)c(F)cnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ ALDH3A1 P30838 2/20 0.36
▸ NOD1 Q9Y239 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGDR2 Q9Y5Y4 4/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ CXCL8 P10145 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HTR6 P50406 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1561228 0.86 LMNA (0.36) LMNAALDH3A1NOD1HTTPOLB
SCHEMBL473708 0.81 CYP2A6 (0.40) ALDH3A1NOD1HTTPOLBL3MBTL1
SCHEMBL473661 0.81 MAPT (0.35) LMNAALDH3A1NOD1HTTPOLB
SCHEMBL473682 0.81 LMNA (0.43) LMNAALDH3A1NOD1HTTPOLB
SCHEMBL473742 0.81 PIM1 (0.42) LMNA
SCHEMBL1749189 0.74 PTGDR2 (0.37) LMNAALDH3A1NOD1HTTPOLB
SCHEMBL2220367 0.73 CYP2A6 (0.40) PTGDR2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL473790 0.71 MAPT (0.37) LMNAALDH3A1NOD1HTTPOLB
SCHEMBL2218828 0.71 PIM1 (0.41) PTGDR2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1356125 0.70 L3MBTL1 (0.49) ALDH3A1NOD1HTTPOLBL3MBTL1

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 6 patents. 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
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
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
EP-2411389-A2 9H-PYRROLO[2,3-B: 5,4-C']DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 — — EP disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 — — WO disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 — — 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-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NPR3, CCNH, CBR3 LMNA 539/4885ALDH3A1 1031/4885NOD1 1934/4885

“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.