SCHEMBL13325642

SCHEMBL13325642

Cc1ccc(S(=O)(=O)n2nnc(C)c2-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 2/20 0.61
▸ NR1H2 P55055 1/20 0.55
▸ NR1H3 Q13133 1/20 0.55
▸ AGTR1 P30556 1/20 0.46
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GAA P10253 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MCOLN3 Q8TDD5 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALDH3A1 P30838 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.43
▸ HSD11B1 P28845 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL13325676 0.79 SLC9A1 (0.57) SLC9A1NR1H2NR1H3MAPTALDH1A1
SCHEMBL28722166 0.76 NR1H2 (0.54) SLC9A1NR1H2NR1H3AGTR1MAPT
SCHEMBL7746353 0.76 SLC9A1 (1.00) SLC9A1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL28446505 0.74 AGTR1 (0.56) SLC9A1NR1H2NR1H3AGTR1MAPT
SCHEMBL28724366 0.73 NR1H2 (0.54) SLC9A1NR1H2NR1H3AGTR1MAPT
SCHEMBL14539586 0.72 SLC9A1 (0.68) SLC9A1NR1H2NR1H3MAPTALDH1A1
SCHEMBL17637925 0.71 NR1H2 (0.56) SLC9A1NR1H2NR1H3MAPTALDH1A1
SCHEMBL29597097 0.71 MAPT (0.50) SLC9A1NR1H2NR1H3MAPTALDH1A1
SCHEMBL29597503 0.71 MAPT (0.53) SLC9A1NR1H2NR1H3MAPTALDH1A1
SCHEMBL22558313 0.71 MAPT (0.56) SLC9A1NR1H2NR1H3MAPTALDH1A1

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-7709655-B2 Clickphosphines for transition metal-catalyzed reactions THE PENN STATE RESEARCH FOUNDATION (US) 2010-05-04 — — US disclosed
US-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 — — 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-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions WEE1, WEE2, ITK SLC9A1 1107/4885NR1H2 4164/4885NR1H3 3823/4885

“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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