SCHEMBL16640741

SCHEMBL16640741

CC(C)(C)NS(=O)(=O)c1c(Br)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NSD2 O96028 2/20 0.34
CA1 P00915 7/20 0.33
CA2 P00918 7/20 0.33
CA9 Q16790 7/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL651393 0.79 NSD2 (0.41) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL6738291 0.78 MAPT (0.50) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL15002399 0.73 CA1 (0.43) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL15002392 0.72 NSD2 (0.47) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL15002402 0.71 CA1 (0.38) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL15002393 0.70 CA1 (0.38) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL1164195 0.70 KDM4E (0.55) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL29576248 0.69 LPL (0.46) CA1CA2CA9CA12CA3
SCHEMBL5899566 0.69 LPL (0.46) CA1CA2CA9CA12CA3
SCHEMBL20641470 0.69 NSD2 (0.38) MAPTSMN1; SMN2KDM4EMEN1NPC1

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-9216970-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-22 US disclosed
US-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-16 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-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 MAPT 1521/4885SMN1; SMN2 4052/4885KDM4E 1505/4885

“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.