SCHEMBL1648271

SCHEMBL1648271

COC(=O)c1cc(-c2ccnn2C)ccc1CS(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
PORCN Q9H237 1/20 0.41
P2RX7 Q99572 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
HDAC8 Q9BY41 5/20 0.39
BRD4 O60885 1/20 0.38
BRD3 Q15059 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
KIF18A Q8NI77 1/20 0.37
CTSA P10619 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1649959 0.89 LRRK2 (0.41) LRRK2PORCNP2RX7SMN1; SMN2NPC1
SCHEMBL18801344 0.80 L3MBTL1 (0.45) LRRK2PORCNP2RX7HDAC8KDM4E
SCHEMBL1646861 0.79 ALDH1A1 (0.36) PORCNSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL1647768 0.78 NR4A2 (0.47) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL1648257 0.77 EDNRA (0.51) PORCNSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL1648198 0.76 ALDH1A1 (0.38) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL1649078 0.75 ALDH1A1 (0.48) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL4912518 0.74 ALDH1A1 (0.53) ALDH1A1KDM4ELMNA
SCHEMBL10927262 0.72 CFTR (0.48) ALDH1A1HPGD
SCHEMBL1648038 0.72 ALDH1A1 (0.38) PORCNSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed
US-20160051531-A1 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-02-25 US disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US disclosed
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 US disclosed
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 US disclosed
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 US disclosed
EP-2486004-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen Corporation (US) 2012-08-15 EP disclosed
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 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 (2 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-20160051531-A1 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, STS LRRK2 2968/4885PORCN 667/4885P2RX7 2578/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS LRRK2 2968/4885PORCN 667/4885P2RX7 2578/4885

“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.