SCHEMBL3466407

SCHEMBL3466407

NCc1ccc(S(=O)(=O)N2CCOCC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
NAMPT P43490 2/20 0.42
HSD11B1 P28845 1/20 0.41

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
SCHEMBL26983350 0.79 LMNA (0.52) ALDH1A1GAALMNASMN1; SMN2POLB
SCHEMBL15231957 0.77 POLB (0.67) ALDH1A1GAALMNASMN1; SMN2POLB
SCHEMBL3466404 0.76 MAPK1 (0.48) ALDH1A1TDP1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL2897609 0.76 POLB (0.65) ALDH1A1GAALMNASMN1; SMN2POLB
SCHEMBL3121521 0.71 KCNH2 (0.39) ALDH1A1SMN1; SMN2NAMPT
SCHEMBL26983325 0.71 KDM4E (0.55) TDP1LMNAPOLB
SCHEMBL29467304 0.71 KDM4E (0.55) TDP1LMNAPOLB
SCHEMBL12409435 0.71 CA2 (0.57) ALDH1A1SMN1; SMN2
SCHEMBL30991511 0.71 CYP11B1 (0.57) ALDH1A1TDP1GAALMNASMN1; SMN2
SCHEMBL3126249 0.71 LOXL2 (0.41) NAMPTHSD11B1

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 4 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

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 ALDH1A1 523/4885TDP1 1686/4885GAA 3761/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 ALDH1A1 268/4885TDP1 448/4885GAA 4085/4885

“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.