SCHEMBL3144401

SCHEMBL3144401

O=C(CBr)c1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.59
PTPN1 P18031 6/20 0.55
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GSR P00390 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL19887235 0.83 KMT2A (0.48) PTPN1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL7603248 0.80 MAPT (0.50) KMT2AALDH1A1HSD17B10TDP1GSR
SCHEMBL26181037 0.80 PTPN1 (0.59) GSK3BPTPN1KMT2AMEN1GSR
SCHEMBL125350 0.80 GSR (0.59) GSK3BPTPN1GSR
SCHEMBL3642480 0.80 CA2 (0.59) GSK3BPTPN1
SCHEMBL205280 0.80 GSK3B (0.80) GSK3BPTPN1
SCHEMBL9647547 0.78 GSR (0.45) GSK3BKMT2AALDH1A1HSD17B10TDP1
SCHEMBL7550413 0.78 GSK3B (0.50) GSK3BPTPN1KMT2AMEN1ALDH1A1
SCHEMBL15229332 0.77 GSK3B (0.64) GSK3BPTPN1KMT2AMEN1ALDH1A1
SCHEMBL7917653 0.76 ALDH1A1 (0.50) KMT2AALDH1A1HSD17B10TDP1

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
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO disclosed
US-4125614-A DIURETIC HOECHST AKTIENGESELLSCHAFT (DE) 1978-11-14 US disclosed
US-4061761-A Thiazolidine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-06 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 (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-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 GSK3B 4064/4885PTPN1 2198/4885KMT2A 2419/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 GSK3B 4064/4885PTPN1 2198/4885KMT2A 2419/4885

“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.