SCHEMBL179216

SCHEMBL179216

N=C(Nc1ccc(F)c(Br)c1)c1nonc1NCCCNS(N)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
TDO2 P48775 1/20 0.57
IDO2 Q6ZQW0 1/20 0.57

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
SCHEMBL179190 0.94 IDO1 (0.64) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL29935305 0.94 IDO1 (0.64) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL20805555 0.91 IDO1 (0.48) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL179169 0.91 IDO1 (0.57) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL20198886 0.89 IDO1 (0.50) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL179217 0.89 IDO1 (0.56) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL23236569 0.88 IDO1 (0.70) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL144580 0.88 IDO1 (0.63) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL144581 0.88 IDO1 (0.63) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL21538730 0.87 IDO1 (0.53) IDO1CYP3A4CYP2C9TDO2IDO2

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
US-20170348289-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase INCYTE CORPORATION 2017-12-07 US disclosed
US-9789094-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase INCYTE HOLDINGS CORPORATION (US) 2017-10-17 US disclosed
US-20160220543-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase INCYTE CORPORATION 2016-08-04 US disclosed
US-9320732-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2016-04-26 US disclosed
US-20150352206-A1 SYNERGISTIC COMBINATION OF IMMUNOLOGIC INHIBITORS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF CHICAGO (US) 2015-12-10 US disclosed
US-20150190378-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase INCYTE CORPORATION (US) 2015-07-09 US disclosed
US-8993605-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-03-31 US disclosed
US-20140315962-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase INCYTE CORPORATION (US) 2014-10-23 US disclosed
US-8822511-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2014-09-02 US disclosed
US-8796319-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2014-08-05 US disclosed
US-20140023663-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3-Dioxygenase INCYTE CORPORATION (US) 2014-01-23 US disclosed
US-20120058079-A1 1,2,5-Oxadiazoles as Inhibitors of Indoleamine 2,3-Dioxygenase INCYTE CORPORATION, A DELAWARE CORPORATION 2012-03-08 US 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 (7 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-20140315962-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase IDO1, IDO2, INMT IDO1 1/4885CYP3A4 131/4885CYP2C9 232/4885
US-20140023663-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3-Dioxygenase IDO1, IDO2, INMT IDO1 1/4885CYP3A4 131/4885CYP2C9 232/4885
US-20170348289-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase IDO1, IDO2, INMT IDO1 1/4885CYP3A4 131/4885CYP2C9 232/4885
US-20150352206-A1 SYNERGISTIC COMBINATION OF IMMUNOLOGIC INHIBITORS FOR THE TREATMENT OF CANCER ICOS, CD274, IDO1 IDO1 3/4885CYP3A4 2311/4885CYP2C9 4210/4885
US-20150190378-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase IDO1, IDO2, INMT IDO1 1/4885CYP3A4 131/4885CYP2C9 232/4885
US-20160220543-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase IDO1, IDO2, INMT IDO1 1/4885CYP3A4 131/4885CYP2C9 232/4885
US-20120058079-A1 1,2,5-Oxadiazoles as Inhibitors of Indoleamine 2,3-Dioxygenase IDO1, IDO2, INMT IDO1 1/4885CYP3A4 131/4885CYP2C9 232/4885

“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.