SCHEMBL7503733

SCHEMBL7503733

NS(=O)(=O)c1ccc2[nH]c3c(c2c1)Cc1c(C(=O)O)cccc1-3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA12 O43570 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
CCNB2 O95067 3/20 0.43
CDK1 P06493 3/20 0.43
CCNB1 P14635 3/20 0.43
GSK3B P49841 3/20 0.43
CCNB3 Q8WWL7 3/20 0.43
BAZ2B Q9UIF8 1/20 0.43
MPL P40238 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.40
CDK5 Q00535 1/20 0.39

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
Water SCHEMBL7500648 0.99 CA1 (0.46) CA1CA2CA4CA6CA12
Water SCHEMBL7500646 0.99 CA1 (0.46) CA1CA2CA4CA6CA12
SCHEMBL7500769 0.81 GSK3B (0.46) CA1CA2CA4CA6CCNB2
SCHEMBL7492409 0.81 GSK3B (0.55) CA1CA2CA4CA6CCNB2
SCHEMBL7501195 0.81 HSP90AA1 (0.55) CA1CA2CA4CA6CCNB2
SCHEMBL7493045 0.81 CDK1 (0.57) CA1CA2CA4CA6CCNB2
SCHEMBL7504955 0.76 MPL (0.42) CA1CA2CA4CA6CCNB2
SCHEMBL7493665 0.74 CA1 (0.50) CA1CA2CA4CA6CCNB2
SCHEMBL16085046 0.74 CCNB2 (0.72) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL14079332 0.73 PARP1 (0.50) CA1CA2CA4CA6CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391902-B2 TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION SUCH AS INCONTINENCE AND IRRITABLE BOWEL SYNDROME AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 US disclosed
US-20010047026-A1 Substituted benzofuranoindoles and indenoindoles as novel potassium channel openers AMERICAN HOME PRODUCTS CORPORATION 2001-11-29 US disclosed
US-6288099-B1 COMPOUNDS SUCH AS 8-BROMO-10H-BENZO(4,5)FURO(3,2-B)INDOLE-1-CARBOXYLIC ACID USED TO TREAT DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRATION SUCH AS URINARY INCONTINENCE AND IRRITABLE BOWL SYNDROME AMERICAN HOME PRODUCTS CORPORATION 2001-09-11 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-20010047026-A1 Substituted benzofuranoindoles and indenoindoles as novel potassium channel openers KCNJ2, KCNN3, KCNN2 CA1 4382/4885CA2 793/4885CA4 3837/4885

“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.