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
SCHEMBL29651100 0.85 HTR6 (0.64) HTR6AKR1C3AKR1C1CA12CA9
SCHEMBL1996382 0.85 HTR6 (0.64) HTR6AKR1C3AKR1C1CA12CA9
SCHEMBL1015250 0.83 HTR6 (0.58) HTR6AKR1C3AKR1C1CA12CA9
SCHEMBL19737423 0.83 HTR6 (0.59) HTR6AKR1C3AKR1C1CA12CA9
SCHEMBL12496662 0.83 ACLY (0.56) HTR6LMNASMN1; SMN2CYP3A4CYP2D6
SCHEMBL947296 0.82 HTR6 (0.60) HTR6LMNASMN1; SMN2
SCHEMBL950569 0.81 HTR6 (0.61) HTR6
SCHEMBL19737553 0.81 HTR6 (0.49) HTR6AKR1C3AKR1C1CA12CA9

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.