SCHEMBL1648499

SCHEMBL1648499

COC(=O)c1c(CSC2CCCCC2)ccc(Br)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 3/20 0.41
MDM2 Q00987 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
QRFPR Q96P65 5/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD4 P21917 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL1645658 0.84 DRD2 (0.37) KMT2AMEN1HTR1AADRA2ACYP2D6
SCHEMBL18801106 0.80 DRD2 (0.39) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL18801370 0.79 DRD2 (0.37) KMT2AMEN1HTR1AADRA2ACYP2D6
SCHEMBL18801187 0.79 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1HPGDL3MBTL1
SCHEMBL18801103 0.78 DRD2 (0.40) SMN1; SMN2KMT2AMEN1HTR1AADRA2A
SCHEMBL1649232 0.78 SIGMAR1 (0.38) NPC1POLBQRFPRKMT2AMEN1
SCHEMBL28104596 0.76 POLB (0.46) ALDH1A1RAB9ANPC1HPGDL3MBTL1
SCHEMBL1648182 0.75 MEN1 (0.35) ALDH1A1HPGDPOLBSMN1; SMN2KMT2A
SCHEMBL18801112 0.75 MEN1 (0.35) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL30004264 0.75 MEN1 (0.40) ALDH1A1HPGDL3MBTL1POLBSMN1; SMN2

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 12 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
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 ALDH1A1 360/4885RAB9A 4338/4885NPC1 2326/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS ALDH1A1 360/4885RAB9A 4338/4885NPC1 2326/4885

“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.