SCHEMBL1169409

SCHEMBL1169409

CC(C)C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Br)s1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ TP53 P04637 3/20 0.46
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.40

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
SCHEMBL1169413 1.00 ALDH1A1 (0.46) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1168721 0.88 TP53 (0.49) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1168722 0.88 TP53 (0.49) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1169335 0.87 ALDH1A1 (0.47) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1169337 0.87 ALDH1A1 (0.47) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1169493 0.86 PSEN1 (0.56) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1169489 0.86 PSEN1 (0.56) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1168833 0.86 ALDH1A1 (0.49) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1169097 0.86 ALDH1A1 (0.49) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1168832 0.86 ALDH1A1 (0.49) ALDH1A1LMNAHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034513-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production WYETH LLC (US) 2011-02-10 — — US claimed
US-7691884-B2 Heterocyclic sulfonamide inhibitors of β amyloid production WYETH (US) 2010-04-06 — — US claimed
EP-1341779-B1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH CORP (US) 2006-06-21 — — EP claimed
US-6610734-B2 For therapy of Alzheimer's Disease and Down's syndrome WYETH 2003-08-26 — — US claimed
US-20020183361-A1 Heterocyclic sulfonamide inhibitors of beta amyloid production ARQULE 2002-12-05 — — US claimed
US-20110034513-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production WYETH LLC (US) 2011-02-10 — — US disclosed
US-7842718-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production WYETH LLC (US) 2010-11-30 — — US disclosed
US-7691884-B2 Heterocyclic sulfonamide inhibitors of β amyloid production WYETH (US) 2010-04-06 — — US disclosed
US-20100022594-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2010-01-28 — — US disclosed
EP-1341779-B1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH CORP (US) 2006-06-21 — — EP disclosed
US-20050196813-A1 Heterocyclic sulfonamide inhibitors of beta amyloid production WYETH (US) 2005-09-08 — — US disclosed
US-6878742-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production WYETH (US) 2005-04-12 — — US disclosed
US-6610734-B2 For therapy of Alzheimer's Disease and Down's syndrome WYETH 2003-08-26 — — 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 (3 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-20100022594-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION APP, BACE1, PSEN1 ALDH1A1 3387/4885LMNA 1423/4885HTT 17/4885
US-20110034513-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production APP, BACE1, PSEN1 ALDH1A1 3387/4885LMNA 1423/4885HTT 17/4885
US-20020183361-A1 Heterocyclic sulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 ALDH1A1 2994/4885LMNA 1273/4885HTT 28/4885

“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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