SCHEMBL12871629

SCHEMBL12871629

O=C(O)c1cccc(-c2nc(-c3ccc4c(c3)OCCO4)co2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.56
▸ ORAI1 Q96D31 2/20 0.56
▸ KDM4E B2RXH2 4/20 0.48
▸ ALPL P05186 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ TP53 P04637 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ ADCY1 Q08828 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HSD17B1 P14061 1/20 0.46
▸ HSD17B2 P37059 1/20 0.46
▸ DHODH Q02127 1/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ FABP4 P15090 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 2/20 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
SCHEMBL12171872 0.95 STIM1 (0.52) STIM1ORAI1KDM4EALPLSMN1; SMN2
SCHEMBL12172050 0.93 TP53 (0.53) STIM1ORAI1KDM4ESMN1; SMN2TP53
SCHEMBL12170985 0.83 HSD17B1 (0.57) HSD17B1HSD17B2DHODHNPC1RAB9A
SCHEMBL30394308 0.83 STIM1 (0.66) STIM1ORAI1KDM4EALPLSMN1; SMN2
SCHEMBL12871205 0.83 STIM1 (0.64) STIM1ORAI1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL22039250 0.81 SNCA (0.50) KDM4ESMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL30387843 0.81 SNCA (0.50) KDM4ESMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL17612316 0.80 HSD17B1 (0.53) KDM4ESMN1; SMN2ALDH1A1HSD17B1HSD17B2
SCHEMBL4876329 0.80 HSD17B1 (0.53) HSD17B1HSD17B2NPC1RAB9AL3MBTL1
SCHEMBL4874528 0.80 CTRC (0.55) HSD17B1HSD17B2NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2017-07-20 — — US disclosed
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2017-07-20 — — US disclosed
US-9611230-B2 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2017-04-04 — — US disclosed
US-9611230-B2 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2017-04-04 — — US disclosed
EP-3067053-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2016-09-14 — — EP 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-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
EP-2939674-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2015-11-04 — — EP disclosed
EP-2311455-B1 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS INC (US) 2015-07-15 — — EP 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
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use PCT THERAPEUTICS, INC. (US) 2009-10-08 — — US disclosed
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use PCT THERAPEUTICS, INC. (US) 2009-10-08 — — 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 (4 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-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 STIM1 3573/4885ORAI1 4387/4885KDM4E 3821/4885
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 STIM1 3777/4885ORAI1 4547/4885KDM4E 3746/4885
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 STIM1 4704/4885ORAI1 4208/4885KDM4E 1227/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 STIM1 4704/4885ORAI1 4208/4885KDM4E 1227/4885

“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.

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