SCHEMBL4334765

SCHEMBL4334765

O=S(=O)(c1ccccc1)n1cc(Br)c2cc(Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.52
▸ AKR1C3 P42330 1/20 0.49
▸ AKR1C1 Q04828 1/20 0.49
▸ CA12 O43570 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
Ethoxycarbonyl Group SCHEMBL27682289 0.86 HTR6 (0.47) HTR6LMNASMN1; SMN2CYP3A4CYP2D6
SCHEMBL13257975 0.86 KDM4E (0.51) HTR6CA1CA2LMNA
SCHEMBL1996382 0.85 HTR6 (0.64) HTR6AKR1C3AKR1C1CA12CA9
SCHEMBL29651100 0.85 HTR6 (0.64) HTR6AKR1C3AKR1C1CA12CA9
SCHEMBL1015250 0.83 HTR6 (0.58) HTR6AKR1C3AKR1C1CA12CA9
SCHEMBL12496662 0.83 ACLY (0.56) HTR6LMNASMN1; SMN2CYP3A4CYP2D6
SCHEMBL19737423 0.83 HTR6 (0.59) HTR6AKR1C3AKR1C1CA12CA9
SCHEMBL947296 0.82 HTR6 (0.60) HTR6LMNASMN1; SMN2
SCHEMBL1466360 0.81 AKR1C3 (0.60) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL945672 0.81 KDM4E (0.58) HTR6CA9CA2LMNASMN1; SMN2

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-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 — — US disclosed
CN-101048407-A Bicyclic heteroaryl PDE4B inhibitors PLEXXIKON INC (US) 2007-10-03 — — CN disclosed
EP-1786813-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2007-05-23 — — EP disclosed
US-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. 2006-05-11 — — US disclosed
WO-2006026754-A9 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON INC (US) 2006-04-20 — — WO disclosed
WO-2006026754-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2006-03-09 — — 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-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PDE4B, PDE4A, PDE4C HTR6 2439/4885AKR1C3 3503/4885AKR1C1 2925/4885

“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.

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