SCHEMBL3126249

SCHEMBL3126249

NCc1ccc(S(=O)(=O)C2CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 7/20 0.41
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
LOX P28300 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 1/20 0.35
MAPT P10636 1/20 0.34
PSIP1 O75475 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
HSD11B1 P28845 1/20 0.33
NAMPT P43490 1/20 0.32
RIPK1 Q13546 2/20 0.32

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
SCHEMBL14243210 0.83 HRH3 (0.37) LOXL2HTR2AKCNH2CA2RIPK1
SCHEMBL12241629 0.77 CA12 (0.58) LOXL2CA1CA2CA12CA4
SCHEMBL12409435 0.77 CA2 (0.57) LOXL2HTR2AKCNH2CA1CA2
SCHEMBL3129436 0.75 LOXL2 (0.43) LOXL2LOX
Hydrochloric Acid SCHEMBL23144996 0.75 CA2 (0.55) LOXL2HTR2AKCNH2CA1CA2
SCHEMBL1145511 0.75 PIK3CD (0.42) LOXL2HTR2AKCNH2LOXCA1
SCHEMBL5758401 0.75 PIK3CD (0.42) LOXL2HTR2AKCNH2LOXCA1
SCHEMBL3121521 0.74 KCNH2 (0.39) KCNH2MAPTNAMPT
SCHEMBL423199 0.74 GPR119 (0.39) KCNH2
SCHEMBL12241631 0.74 COMT (0.34) LOXL2CA1CA2CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 LOXL2 3029/4885HTR2A 3250/4885KCNH2 3909/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 LOXL2 1706/4885HTR2A 3700/4885KCNH2 4067/4885

“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.