SCHEMBL4035337

SCHEMBL4035337

Cc1ccc(S(=O)(=O)OCCCC2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
PKM P14618 1/20 0.36
PSMD10 O75832 1/20 0.36
CFTR P13569 1/20 0.36
CYP24A1 Q07973 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL31662487 1.00 CA12 (0.39) CA12CA1CA9MEN1KMT2A
SCHEMBL766879 0.92 CA12 (0.41) CA12CA1CA9MEN1KMT2A
SCHEMBL3110871 0.90 CYP2D6 (0.41) CA12CA1CA9MEN1KMT2A
SCHEMBL23273024 0.87 CYP3A4 (0.42) CA12CA1CA9MEN1KMT2A
SCHEMBL3387501 0.86 ALDH1A1 (0.44) MEN1KMT2ACYP2D6CYP1A2CYP3A4
SCHEMBL13097208 0.86 CA12 (0.41) CA12CA1CA9MEN1KMT2A
SCHEMBL13025640 0.85 ESR1 (0.42) CA12CA1CA9MEN1KMT2A
SCHEMBL11848457 0.84 ESR1 (0.43) CA12CA1CA9MEN1KMT2A
SCHEMBL7372412 0.83 HTR6 (0.46) CA12CA1CA9CYP2D6CYP1A2
SCHEMBL25907366 0.83 ALDH1A1 (0.41) CA12CA1CA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392298-B1 FUSED HETEROCYCLIC COMPOUNDS AMGEN INC (US) 2009-02-18 EP disclosed
US-20070135425-A1 Fused heterocyclic compounds AMGEN INC. (US) 2007-06-14 US disclosed
US-7125885-B2 Fused heterocyclic compounds AMGEN INC. (US) 2006-10-24 US disclosed
US-20050148617-A1 Fused heterocyclic compounds TULARIK INC. 2005-07-07 US disclosed
EP-1392298-A4 FUSED HETEROCYCLIC COMPOUNDS TULARIK INC (US) 2005-05-25 EP disclosed
US-6858619-B2 Fused heterocyclic compounds AMGEN INC. (US) 2005-02-22 US disclosed
US-6809104-B2 COMPRISES 6H-PYRIDO(4,3-B)CARBAZOLE-CONTAINING COMPOUNDS FOR TREATMENT OF OBESITY, EATING/ANXIETY/MOOD DISORDERS AND OTHER DISEASES MEDIATED BY G-PROTEIN-COUPLED-RECEPTORS AND MELANIN-CONCENTRATING HORMONE RECEPTORS TULARIK INC. 2004-10-26 US disclosed
EP-1392298-A2 FUSED HETEROCYCLIC COMPOUNDS Tularik Inc. (US) 2004-03-03 EP disclosed
US-20030176694-A1 Fused heterocyclic compounds AMGEN INC. 2003-09-18 US disclosed
US-20030023085-A1 Fused heterocyclic compounds TULARIK INC. 2003-01-30 US disclosed
WO-2002089729-A2 FUSED HETEROCYCLIC COMPOUNDS TULARIK INC. (US) 2002-11-14 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 (4 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-20030023085-A1 Fused heterocyclic compounds GIPR, MC4R, GPR119 CA12 3642/4885CA1 3170/4885CA9 3692/4885
US-20050148617-A1 Fused heterocyclic compounds GIPR, MC4R, GPR119 CA12 3642/4885CA1 3170/4885CA9 3692/4885
US-20030176694-A1 Fused heterocyclic compounds GIPR, MC4R, GPR119 CA12 3642/4885CA1 3170/4885CA9 3692/4885
US-20070135425-A1 Fused heterocyclic compounds GIPR, MC4R, GPR119 CA12 3642/4885CA1 3170/4885CA9 3692/4885

“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.