SCHEMBL10174151

SCHEMBL10174151

CS(=O)(=O)NCCCNc1nonc1C(=N)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.45
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
IDO1 P14902 5/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDR P35968 1/20 0.38
IKBKB O14920 1/20 0.38
AKR1C3 P42330 1/20 0.38
KCNMA1 Q12791 1/20 0.38

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
SCHEMBL179225 0.94 IDO1 (0.44) TRPV4CYP11B1CYP11B2IDO1LMNA
SCHEMBL179215 0.91 CA12 (0.41) IDO1LMNAKMT2AMAPTMEN1
SCHEMBL20198999 0.88 IDO1 (0.46) IDO1LMNAKMT2AMAPTMEN1
SCHEMBL145968 0.87 IDO1 (0.44) TRPV4CYP11B1CYP11B2IDO1LMNA
SCHEMBL145967 0.87 IDO1 (0.44) TRPV4CYP11B1CYP11B2IDO1LMNA
SCHEMBL179212 0.85 IDO1 (0.44) IDO1LMNAKMT2AMAPTMEN1
SCHEMBL179177 0.84 IDO1 (0.45) IDO1
SCHEMBL22746608 0.82 ZAP70 (0.44) IDO1LMNAKMT2AMAPTMEN1
SCHEMBL10173685 0.82 RXFP1 (0.53) IDO1LMNAKMT2AMAPTMEN1
SCHEMBL30449652 0.81 IDO1 (0.49) TRPV4CYP11B1CYP11B2IDO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034864-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase INCYTE HOLDINGS CORPORATION (US) 2018-07-31 US disclosed
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 (8 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 TRPV4 3705/4885CYP11B1 155/4885CYP11B2 107/4885
US-10034864-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT TRPV4 3705/4885CYP11B1 155/4885CYP11B2 107/4885
US-20140023663-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3-Dioxygenase IDO1, IDO2, INMT TRPV4 3705/4885CYP11B1 155/4885CYP11B2 107/4885
US-20170348289-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase IDO1, IDO2, INMT TRPV4 3705/4885CYP11B1 155/4885CYP11B2 107/4885
US-20150352206-A1 SYNERGISTIC COMBINATION OF IMMUNOLOGIC INHIBITORS FOR THE TREATMENT OF CANCER ICOS, CD274, IDO1 TRPV4 1098/4885CYP11B1 4331/4885CYP11B2 4381/4885
US-20150190378-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase IDO1, IDO2, INMT TRPV4 3705/4885CYP11B1 155/4885CYP11B2 107/4885
US-20160220543-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase IDO1, IDO2, INMT TRPV4 3705/4885CYP11B1 155/4885CYP11B2 107/4885
US-20120058079-A1 1,2,5-Oxadiazoles as Inhibitors of Indoleamine 2,3-Dioxygenase IDO1, IDO2, INMT TRPV4 3705/4885CYP11B1 155/4885CYP11B2 107/4885

“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.