SCHEMBL6844869

SCHEMBL6844869

CC(C)(C)OC(=O)NCCOc1c(-c2ccoc2)ccc(CS(=O)(=O)c2cccc(Cl)c2)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IDO1 P14902 2/20 0.37
METAP2 P50579 4/20 0.36
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
CA12 O43570 5/20 0.36
CA9 Q16790 5/20 0.36
CYP1A1 P04798 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A43 Q9HB55 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
SCHEMBL1648173 0.93 ALDH1A1 (0.39) ALDH1A1HPGDTP53GLAMAPT
SCHEMBL1648412 0.92 CA1 (0.40) ALDH1A1HPGDTP53GLAMAPT
SCHEMBL1649052 0.90 CA1 (0.41) ALDH1A1HPGDTP53GLAMAPT
SCHEMBL1649176 0.86 METAP2 (0.49) ALDH1A1HPGDTP53GLAMAPT
SCHEMBL6844846 0.84 METAP2 (0.36) METAP2CYP2D6CYP2C19MCL1FBP1
SCHEMBL1648181 0.84 CA1 (0.40) ALDH1A1HPGDTP53GLAMAPT
Hydrochloric Acid SCHEMBL1649394 0.83 METAP2 (0.35) METAP2CYP2D6CYP2C19MCL1FBP1
SCHEMBL1647747 0.83 METAP2 (0.41) ALDH1A1IDO1METAP2CA1CA2
SCHEMBL1648204 0.83 CA12 (0.37) ALDH1A1HPGDTP53GLAMAPT
SCHEMBL18801083 0.83 IDO1 (0.36) ALDH1A1HPGDHTTIDO1METAP2

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 4 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
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
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 (1 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-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS ALDH1A1 360/4885HPGD 1234/4885TP53 4462/4885

“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.