SCHEMBL3439357

SCHEMBL3439357

COc1cc(C(=O)O)cc(S(C)(=O)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.47
▸ PKM P14618 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ PTGS2 P35354 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL1346260 0.85 LMNA (0.47) KDM4EALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL568577 0.85 KDM4E (0.69) KDM4EALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL10949551 0.84 ALOX15 (0.46) KDM4EALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL668838 0.84 KDM4E (0.69) KDM4EALDH1A1LMNATDP1PKM
SCHEMBL567689 0.83 MAPT (0.46) LMNASMN1; SMN2TDP1PKMPTGS2
Hydrochloric Acid SCHEMBL10573659 0.82 ALOX15 (0.45) KDM4EALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL5620578 0.80 KDM4E (0.49) KDM4EALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL12166934 0.77 TPMT (0.42) KDM4EALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL31368569 0.77 TPMT (0.42) KDM4EALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL5365414 0.75 ALDH1A1 (0.58) KDM4EALDH1A1LMNASMN1; SMN2TDP1

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 20 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-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-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 — — US disclosed
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 — — US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 — — US disclosed
US-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 — — US disclosed
US-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 — — US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 — — US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 — — US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 — — 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
US-7160905-B2 Hydroxyethylene compounds with Asp2 inhibitory activity SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 — — US disclosed
US-20050038028-A1 Hydroxyethylene compounds with asp2 inhibitory activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-02-17 — — US disclosed
EP-1448516-A1 HYDROXYETHYLENE COMPOUNDS WITH ASP2 INHIBITORY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2004-08-25 — — EP disclosed
WO-2003045903-A1 HYDROXYETHYLENE COMPOUNDS WITH ASP2 INHIBITORY ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 — — 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 (5 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 KDM4E 2535/4885ALDH1A1 523/4885LMNA 4848/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 KDM4E 2535/4885ALDH1A1 523/4885LMNA 4848/4885
US-20050038028-A1 Hydroxyethylene compounds with asp2 inhibitory activity BACE2, BACE1, PSEN2 KDM4E 2877/4885ALDH1A1 1269/4885LMNA 1392/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 KDM4E 4454/4885ALDH1A1 268/4885LMNA 3632/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 KDM4E 2530/4885ALDH1A1 570/4885LMNA 4838/4885

“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.

Send feedback