SCHEMBL2632976

SCHEMBL2632976

Nc1ccc(S(=O)(=O)C2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDIT3 P35638 1/20 0.44
HTR6 P50406 2/20 0.44
TSHR P16473 3/20 0.43
LMNA P02545 1/20 0.43
MPO P05164 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PIK3CA P42336 2/20 0.42
AKT1 P31749 1/20 0.42
MTOR P42345 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
USP2 O75604 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL2149410 0.90 TSHR (0.52) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL20379543 0.85 NAMPT (0.49) CYP2C9PIK3CAAKT1MTORNAMPT
SCHEMBL31219768 0.82 TSHR (0.48) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL2148808 0.82 TSHR (0.48) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL1938630 0.81 DDIT3 (0.44) DDIT3TSHRLMNACA12CA2
SCHEMBL1269462 0.81 DDIT3 (0.44) DDIT3PIK3CAAKT1MTORNAMPT
SCHEMBL5319901 0.81 MMP13 (0.45) DDIT3TSHRCYP3A4CYP2C9CA12
SCHEMBL20379865 0.81 TSHR (0.46) DDIT3HTR6TSHRLMNAMPO
SCHEMBL1865965 0.78 HTR6 (0.44) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL2632975 0.77 DDIT3 (0.53) DDIT3LMNACA12CA1CA2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 US disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-8063058-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-8063058-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 US disclosed
WO-2009136995-A2 INHIBITORS OF SYK PROTEIN KINASE PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
EP-1656378-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF RECEPTOR TYROSINE KINASE ACTIVITY IRM LLC (BM) 2006-05-17 EP disclosed
WO-2005016528-A2 6-SUBSTITUTED ANILINO PURINES AS RTK INHIBITORS IRM LLC (BM) 2005-02-24 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 (8 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-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 DDIT3 1845/4885HTR6 3201/4885TSHR 2274/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK DDIT3 3652/4885HTR6 1837/4885TSHR 1435/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK DDIT3 3997/4885HTR6 1823/4885TSHR 1137/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 DDIT3 1845/4885HTR6 3201/4885TSHR 2274/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 DDIT3 1845/4885HTR6 3201/4885TSHR 2274/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 DDIT3 1845/4885HTR6 3201/4885TSHR 2274/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK DDIT3 4021/4885HTR6 1545/4885TSHR 1024/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK DDIT3 4021/4885HTR6 1545/4885TSHR 1024/4885

“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.