SCHEMBL738542

SCHEMBL738542

O=S(=O)(NC1CCCCC1)c1cccc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.67
MAPK1 P28482 2/20 0.67
ALDH1A1 P00352 6/20 0.62
LMNA P02545 3/20 0.62
KMT2A Q03164 1/20 0.62
CTSL P07711 4/20 0.60
CTSK P43235 4/20 0.60
KDM4E B2RXH2 3/20 0.59
RECQL P46063 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CTSS P25774 3/20 0.59
CTSC P53634 3/20 0.59
CTSB P07858 1/20 0.59
HTR1A P08908 2/20 0.56
HTR7 P34969 2/20 0.56
TSHR P16473 2/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.54

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
SCHEMBL31163204 0.98 HTT (0.64) HTTMAPK1ALDH1A1LMNAKMT2A
SCHEMBL266924 0.98 HTT (0.64) HTTMAPK1ALDH1A1LMNAKMT2A
SCHEMBL3409484 0.95 CTSL (0.61) HTTMAPK1ALDH1A1LMNAKMT2A
SCHEMBL15688099 0.92 CTSL (0.64) HTTMAPK1ALDH1A1LMNAKMT2A
SCHEMBL23048255 0.85 CTSL (0.57) HTTMAPK1ALDH1A1LMNAKMT2A
SCHEMBL3712567 0.83 CTSL (0.53) HTTMAPK1ALDH1A1LMNAKMT2A
SCHEMBL23052298 0.81 CTSL (0.64) HTTMAPK1ALDH1A1LMNACTSL
SCHEMBL8015470 0.81 ALDH1A1 (0.67) HTTMAPK1ALDH1A1LMNAKMT2A
SCHEMBL10082160 0.80 MAPK1 (1.00) HTTMAPK1ALDH1A1LMNAKMT2A
SCHEMBL2834532 0.80 MAPK1 (1.00) HTTMAPK1ALDH1A1LMNAKMT2A

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 17 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-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
EP-1951684-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES Targegen, Inc. (US) 2008-08-06 EP disclosed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP 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
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 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 (6 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-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, CYSLTR2 HTT 3945/4885MAPK1 3444/4885ALDH1A1 1779/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 HTT 3657/4885MAPK1 298/4885ALDH1A1 3235/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 HTT 3657/4885MAPK1 298/4885ALDH1A1 3235/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 HTT 3657/4885MAPK1 298/4885ALDH1A1 3235/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 HTT 3657/4885MAPK1 298/4885ALDH1A1 3235/4885
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 HTT 122/4885MAPK1 4602/4885ALDH1A1 314/4885

“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.