SCHEMBL12110916

SCHEMBL12110916

CCc1ccc(S(=O)(=O)NCCN2CCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.69
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ MBTD1 Q05BQ5 1/20 0.62
▸ MAPT P10636 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TP53 P04637 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ NAMPT P43490 2/20 0.52
▸ SFRP1 Q8N474 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ LSS P48449 1/20 0.51
▸ PKM P14618 1/20 0.50

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
SCHEMBL12509426 0.87 PKM (0.67) SIGMAR1KMT2AMAPK1NAMPTALDH1A1
SCHEMBL13297961 0.85 L3MBTL1 (0.83) SIGMAR1L3MBTL1MBTD1MAPTKDM4E
SCHEMBL3135951 0.82 SIGMAR1 (1.00) SIGMAR1L3MBTL1MBTD1MAPTKDM4E
SCHEMBL270734 0.82 SIGMAR1 (1.00) SIGMAR1L3MBTL1MBTD1MAPTKDM4E
SCHEMBL5438202 0.82 SIGMAR1 (0.73) SIGMAR1L3MBTL1MBTD1MAPTKDM4E
SCHEMBL3330416 0.82 SIGMAR1 (0.73) SIGMAR1L3MBTL1MBTD1MAPTKDM4E
SCHEMBL6568486 0.81 SIGMAR1 (0.72) SIGMAR1L3MBTL1MBTD1MAPTKDM4E
SCHEMBL12015830 0.81 SIGMAR1 (0.68) SIGMAR1L3MBTL1MBTD1MAPTKDM4E
SCHEMBL270252 0.81 SIGMAR1 (0.68) SIGMAR1L3MBTL1MBTD1MAPTKDM4E
Hydrochloric Acid SCHEMBL10844878 0.81 SIGMAR1 (0.97) SIGMAR1L3MBTL1MBTD1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 — — EP disclosed
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 — — US disclosed
US-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 — — US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 — — US disclosed
US-7956052-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-07 — — US disclosed
WO-2010017122-A2 METHODS OF TREATING THALASSEMIA TARGEGEN INC. (US) 2010-02-11 — — WO disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 — — US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 — — US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 — — US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 — — 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-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 SIGMAR1 1178/4885L3MBTL1 2347/4885MBTD1 998/4885
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 SIGMAR1 1890/4885L3MBTL1 3323/4885MBTD1 1225/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 SIGMAR1 1178/4885L3MBTL1 2347/4885MBTD1 998/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B SIGMAR1 4142/4885L3MBTL1 257/4885MBTD1 2623/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 SIGMAR1 2062/4885L3MBTL1 3641/4885MBTD1 1928/4885

“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