SCHEMBL1169518

SCHEMBL1169518

CC[C@@H](c1ccco1)[C@@H](CO)NS(=O)(=O)c1ccc(Br)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PSEN1 P49768 2/20 0.39
▸ PSEN2 P49810 2/20 0.39
▸ APH1B Q8WW43 2/20 0.39
▸ NCSTN Q92542 2/20 0.39
▸ APH1A Q96BI3 2/20 0.39
▸ PSENEN Q9NZ42 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL1168902 0.89 ALDH1A1 (0.40) ALDH1A1HTTCYP2C9CYP2C19MEN1
SCHEMBL1168865 0.88 ALDH1A1 (0.38) ALDH1A1HTTCYP2C9CYP2C19MEN1
SCHEMBL1168614 0.87 PSEN1 (0.55) ALDH1A1HTTCYP2C9CYP2C19MEN1
SCHEMBL1168408 0.86 ALDH1A1 (0.42) ALDH1A1HTTCYP2C9CYP2C19MEN1
SCHEMBL1168721 0.83 TP53 (0.49) ALDH1A1HTTMEN1KMT2APSEN1
SCHEMBL1168722 0.83 TP53 (0.49) ALDH1A1HTTMEN1KMT2APSEN1
SCHEMBL3203039 0.81 TP53 (0.43) ALDH1A1CYP2C19MEN1KMT2ATP53
SCHEMBL1168393 0.80 PSEN1 (0.46) HTTCYP2C9CYP2C19PSEN1PSEN2
SCHEMBL1169038 0.79 MAPT (0.44) ALDH1A1HTTMEN1KMT2ATP53
SCHEMBL1169036 0.79 MAPT (0.44) ALDH1A1HTTMEN1KMT2ATP53

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 3387/4885HTT 17/4885CYP2C9 1171/4885
US-20110034513-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production APP, BACE1, PSEN1 ALDH1A1 3387/4885HTT 17/4885CYP2C9 1171/4885
US-20020183361-A1 Heterocyclic sulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 ALDH1A1 2994/4885HTT 28/4885CYP2C9 1469/4885

“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.

Send feedback