SCHEMBL192581

SCHEMBL192581

S=C(OCl)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CA4 P22748 1/20 0.35
NR1H2 P55055 1/20 0.34
BAX Q07812 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NSD2 O96028 1/20 0.34
ALDH1A1 P00352 3/20 0.33
RECQL P46063 1/20 0.33
SRC P12931 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL2470101 0.85 LTA4H (0.45) LTA4HTDP1ATML3MBTL1TSHR
SCHEMBL5515233 0.80 LTA4H (0.41) LTA4HTDP1ATML3MBTL1TSHR
SCHEMBL8104753 0.77 LTA4H (0.35) LTA4HTSHRALOX15CA5ACA5B
SCHEMBL8238327 0.76 CA4 (0.46) LTA4HTDP1ATML3MBTL1TSHR
SCHEMBL3076764 0.76 LTA4H (0.38) LTA4HTDP1ATML3MBTL1TSHR
SCHEMBL19247 0.75 LTA4H (0.41) LTA4HTDP1ATML3MBTL1TSHR
SCHEMBL3085032 0.74 TDP1 (0.36) LTA4HTDP1ATML3MBTL1TSHR
SCHEMBL178607 0.74 LTA4H (0.45) LTA4HTDP1ATML3MBTL1TSHR
SCHEMBL3087192 0.74 LTA4H (0.45) LTA4HTDP1ATML3MBTL1TSHR
SCHEMBL14823291 0.73 LMNA (0.48) TSHRHPGDMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
US-9522932-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-12-20 US disclosed
US-9458108-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP disclosed
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 US disclosed
EP-2980095-A1 PHOSPONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U.Leuven Research & Development (BE) 2016-02-03 EP disclosed
US-9249177-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-02-02 US disclosed
EP-2049491-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-22 EP disclosed
EP-1989206-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-11-12 EP disclosed
WO-2008019124-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
WO-2007092213-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 WO disclosed
US-20070185062-A1 Phosponate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2007-08-09 US disclosed
EP-1750572-A2 METHOD OF DETERMINING THE SYMPATHETIC TONE AND SYSTEM FOR MEASUREMENT THEREOF Stressmeter A/S (DK) 2007-02-14 EP disclosed
EP-1720890-A2 PHOSPONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U.Leuven Research & Development (BE) 2006-11-15 EP disclosed
WO-2005084529-A2 METHOD OF DETERMINING THE SYMPATHETIC TONE AND SYSTEM FOR MEASUREMENT THEREOF STRESSMETER A/S (DK) 2005-09-15 WO disclosed
WO-2005085268-A2 PHOSPONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2005-09-15 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-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 LTA4H 465/4885TDP1 344/4885ATM 2150/4885
US-20070185062-A1 Phosponate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production ENTPD5, PPA1, TYMP LTA4H 1157/4885TDP1 1722/4885ATM 4215/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 LTA4H 465/4885TDP1 344/4885ATM 2150/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 LTA4H 678/4885TDP1 472/4885ATM 2664/4885
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 LTA4H 678/4885TDP1 472/4885ATM 2664/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 LTA4H 465/4885TDP1 344/4885ATM 2150/4885

“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.