SCHEMBL4968002

SCHEMBL4968002

O=S(=O)(O)CCc1cc(F)ccc1Br.[Na]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
CTDSP1 Q9GZU7 2/20 0.35
GRK2 P25098 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 2/20 0.34
CA2 P00918 5/20 0.34
CA1 P00915 4/20 0.34
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KMT2A Q03164 2/20 0.33
HTR2A P28223 2/20 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
SCHEMBL4967989 0.97 PKM (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4964464 0.81 APLNR (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4967995 0.80 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4965347 0.78 TSHR (0.36) CA2CA1CA12CA9KMT2A
SCHEMBL776934 0.77 HTR2A (0.49) CA2HTR2AHTR2C
SCHEMBL485871 0.74 PKM (0.36) ALDH1A1POLBPKMCA2CA9
SCHEMBL17979919 0.74 PKM (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30360615 0.74 PKM (0.36) ALDH1A1POLBPKMCA2CA9
SCHEMBL13552082 0.73 TAAR1 (0.50) ALDH1A1L3MBTL1CA2CA1CA12
SCHEMBL12261416 0.72 FFAR1 (0.55) POLBPKMFFAR1FFAR4

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-20080171737-A1 CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-17 US disclosed
WO-2008073956-A2 CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO 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-20080171737-A1 CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 PSEN1 794/4885PSEN2 634/4885APH1B 2413/4885

“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.