SCHEMBL1648560

SCHEMBL1648560

COC(=O)c1c(CSc2ccccc2F)ccc(Br)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
METAP2 P50579 1/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 3/20 0.36
BDKRB1 P46663 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL1648293 0.89 KMT2A (0.39) MAPTPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL1648170 0.87 MTNR1A (0.44) METAP2ALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL1648273 0.87 CA12 (0.41) MAPTPOLBSMN1; SMN2LMNARAB9A
SCHEMBL1648309 0.86 LMNA (0.40) MAPTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL1648194 0.83 L3MBTL1 (0.46) CYP3A4CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL1648199 0.83 ALOX5 (0.36) MAPTALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL1650025 0.81 ALOX5 (0.39) METAP2MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL1648989 0.80 L3MBTL1 (0.40) MAPTALDH1A1BDKRB1SMN1; SMN2LMNA
SCHEMBL18801318 0.79 METAP2 (0.43) CYP3A4CYP2C9CYP2C19METAP2MAPT
SCHEMBL6844873 0.78 ALOX5 (0.46) MAPTALDH1A1SMN1; SMN2LMNARAB9A

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 CYP3A4 305/4885CYP2C9 568/4885CYP2C19 219/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS CYP3A4 305/4885CYP2C9 568/4885CYP2C19 219/4885

“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.