SCHEMBL3564480

SCHEMBL3564480

CCC(OC)c1ccccc1S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.42
CA2 P00918 13/20 0.42
CA9 Q16790 9/20 0.42
CA5A P35218 3/20 0.42
ACHE P22303 1/20 0.41
CA12 O43570 5/20 0.40
CA6 P23280 3/20 0.40
CA7 P43166 3/20 0.40
CA4 P22748 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CYP2C9 P11712 1/20 0.40
PTGES2 Q9H7Z7 4/20 0.36
AOC3 Q16853 1/20 0.35
TSHR P16473 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
SCHEMBL28268066 0.79 CA2 (0.45) CA1CA2CA9CA5ACA12
SCHEMBL1939429 0.79 CA2 (0.47) CA1CA2CA9CA5AACHE
SCHEMBL3555914 0.76 CA2 (0.43) CA1CA2CA9CA5ACA12
SCHEMBL2588715 0.76 CA2 (0.43) CA1CA2CA9CA5ACA12
SCHEMBL731096 0.74 CA2 (0.48) CA1CA2CA9CA5AACHE
SCHEMBL11257468 0.73 CA1 (0.40) CA1CA2CA9CA5AACHE
SCHEMBL6368622 0.73 CA1 (0.41) CA1CA2CA9CA5ACA12
SCHEMBL2150976 0.73 TSHR (0.59) CA1CA2CA9CA5AACHE
SCHEMBL1106519 0.72 CA1 (0.53) CA1CA2CA9CA5AACHE
SCHEMBL30593603 0.72 CA1 (0.53) CA1CA2CA9CA5AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 CA1 3602/4885CA2 1564/4885CA9 3955/4885

“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.