SCHEMBL1675632

SCHEMBL1675632

O=C(O)c1cccc(-c2noc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.51
EPHX2 P34913 5/20 0.49
IP6K1 Q92551 1/20 0.47
IP6K3 Q96PC2 1/20 0.47
IP6K2 Q9UHH9 1/20 0.47
P2RY14 Q15391 2/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C9 P11712 1/20 0.45
TSPO P30536 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KMO O15229 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN11 Q06124 1/20 0.42
MAP2K4 P45985 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPK6 Q16659 1/20 0.42

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
SCHEMBL1675481 0.89 KMO (0.55) IP6K1IP6K3IP6K2KMOESR1
SCHEMBL1675517 0.87 MAP2K4 (0.53) IP6K1IP6K3IP6K2KMOESR1
SCHEMBL1675418 0.86 AURKA (0.48) CYP2C9KMOESR1ESR2NPC1
SCHEMBL1675403 0.85 DHODH (0.48) DHODHIP6K1IP6K3IP6K2KMO
SCHEMBL177453 0.81 DHODH (0.71) DHODHEPHX2P2RY14SLC6A2KMO
SCHEMBL29917363 0.81 DHODH (0.71) DHODHEPHX2P2RY14SLC6A2KMO
SCHEMBL1675464 0.79 ESR1 (0.51) IP6K1IP6K3IP6K2KMOESR1
SCHEMBL1675512 0.75 ALDH1A1 (0.47) NPC1RAB9AMAP2K4MAPK1MAPK6
SCHEMBL4875678 0.75 NPC1 (0.63) NPC1RAB9A
SCHEMBL29607058 0.75 NPC1 (0.63) DHODHNPC1RAB9A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135305-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2014-05-15 US claimed
US-20110086833-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. 2011-04-14 US claimed
WO-2009151546-A2 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2009-12-17 WO claimed
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. 2016-07-14 US disclosed
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. 2016-07-14 US disclosed
US-9289398-B2 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC THERAPEUTICS, INC. (US) 2016-03-22 US disclosed
US-9289398-B2 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC THERAPEUTICS, INC. (US) 2016-03-22 US disclosed
US-20140135305-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2014-05-15 US disclosed
US-20140135305-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2014-05-15 US disclosed
US-20140135305-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2014-05-15 US disclosed
US-8633019-B2 Methods for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2014-01-21 US disclosed
US-20110086833-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. 2011-04-14 US disclosed
US-20110086833-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. 2011-04-14 US disclosed
US-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH THERAPEUTICS, INC. (US) 2011-02-24 US disclosed
US-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH THERAPEUTICS, INC. (US) 2011-02-24 US disclosed
WO-2009151546-A2 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2009-12-17 WO disclosed
WO-2009151546-A2 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2009-12-17 WO disclosed
US-20080269191-A1 Compounds for Nonsense Suppression, Use of These Compounds for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. (US) 2008-10-30 US disclosed
US-20080269191-A1 Compounds for Nonsense Suppression, Use of These Compounds for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. (US) 2008-10-30 US disclosed
WO-2007117438-A2 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. (US) 2007-10-18 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 (5 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-20110086833-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, NSUN2, SNRPB2 DHODH 3507/4885EPHX2 4036/4885IP6K1 2820/4885
US-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH UPF1, DNAJC10, RNGTT DHODH 2054/4885EPHX2 4584/4885IP6K1 3570/4885
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH UPF1, DNAJC10, RNGTT DHODH 1669/4885EPHX2 4345/4885IP6K1 3707/4885
US-20080269191-A1 Compounds for Nonsense Suppression, Use of These Compounds for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, NSUN2, RNMT DHODH 2079/4885EPHX2 4599/4885IP6K1 3669/4885
US-20140135305-A1 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, NSUN2, SNRPB2 DHODH 3507/4885EPHX2 4036/4885IP6K1 2820/4885

“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.