SCHEMBL486977

SCHEMBL486977

N=S(=O)(Cc1ccc(F)cc1)Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
IDO1 P14902 4/20 0.43
AGXT P21549 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.38
PRSS1 P07477 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
SCHEMBL422010 0.80 USP2 (0.51) KMT2AIDO1AGXTLOXL2CA1
SCHEMBL9421733 0.78 FAAH (0.62) KMT2AIDO1AGXTLOXL2CA1
SCHEMBL642127 0.76 CA1 (0.60) KMT2AIDO1AGXTLOXL2CA1
SCHEMBL9629254 0.76 IDO1 (0.43) KMT2AIDO1CA1CA2CA9
SCHEMBL1259830 0.76 KMT2A (0.44) KMT2AIDO1AGXTLOXL2CA1
SCHEMBL750073 0.76 KMT2A (0.44) KMT2AIDO1AGXTLOXL2CA1
SCHEMBL776965 0.76 LOXL2 (0.48) KMT2AIDO1LOXL2CA1CA2
SCHEMBL777188 0.76 KMT2A (0.44) KMT2AIDO1LOXL2BCHEACHE
SCHEMBL8577557 0.75 CA2 (0.58) KMT2ACA1CA2CA9CA12
Hydrochloric Acid SCHEMBL5795445 0.74 CA1 (0.58) KMT2AIDO1AGXTLOXL2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511725-B1 24-SULFOXIMINE VITAMIN D3 COMPOUNDS UNIV JOHNS HOPKINS (US) 2012-02-01 EP disclosed
US-7973024-B2 24-sulfoximine vitamin D3 compounds Cyctochroma Inc. (CA) 2011-07-05 US disclosed
US-20060217353-A1 24-sulfoximine vitamin D3 compounds CYTOCHROMA INC. (CA) 2006-09-28 US disclosed
US-7101865-B2 24-sulfoximine vitamin D3 compounds CYTOCHROMA INC. (CA) 2006-09-05 US disclosed
EP-1511725-A1 24-SULFOXIMINE VITAMIN D sb 3 /sb COMPOUNDS Johns Hopkins University (US) 2005-03-09 EP disclosed
US-20040038949-A1 24-sulfoximine vitamin D3 compounds JOHNS HOPKINS UNIVERSITY 2004-02-26 US disclosed
WO-2003106411-A1 24-SULFOXIMINE VITAMIN D3 COMPOUNDS JOHNS HOPKINS UNIVERSITY (US) 2003-12-24 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 (2 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-20040038949-A1 24-sulfoximine vitamin D3 compounds CYP24A1, CYP2R1, CYP27B1 KMT2A 3338/4885IDO1 382/4885AGXT 1893/4885
US-20060217353-A1 24-sulfoximine vitamin D3 compounds CYP24A1, CYP2R1, CYP27B1 KMT2A 3103/4885IDO1 386/4885AGXT 1818/4885

“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.