SCHEMBL14769625

SCHEMBL14769625

c1ccc(P(c2ccccc2)c2cccc(OCCCCOc3cccc(P(c4ccccc4)c4ccccc4)c3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.56
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
PRSS1 P07477 5/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PRSS2 P07478 1/20 0.44
C1S P09871 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL15281130 0.98 KCNA3 (0.54) KCNA3TDP1CYP3A4HDAC3HDAC4
SCHEMBL15281150 0.96 KCNA3 (0.50) KCNA3TDP1CYP3A4HDAC3HDAC4
SCHEMBL15281165 0.94 TDP1 (0.48) KCNA3TDP1CYP3A4PRSS1F2
SCHEMBL19326866 0.92 KCNA3 (0.47) KCNA3TDP1CYP3A4HDAC3HDAC4
SCHEMBL19326870 0.90 KCNA3 (0.44) KCNA3TDP1CYP3A4HDAC3HDAC4
SCHEMBL19326848 0.87 KCNH2 (0.47) KCNA3TDP1CYP3A4HDAC1HDAC2
SCHEMBL19829790 0.87 KCNH2 (0.47) KCNA3TDP1CYP3A4HDAC1HDAC2
SCHEMBL15281177 0.86 CYP3A4 (0.48) KCNA3TDP1CYP3A4PRSS1F2
SCHEMBL2363645 0.83 TSHR (0.53) TSHR
SCHEMBL6678264 0.83 CYP3A4 (0.52) TDP1CYP3A4KDM4ETSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993582-B2 Processes for preparing JAK inhibitors and related intermediate compounds INCYTE CORPORATION (US) 2015-03-31 US disclosed
US-8993582-B2 Processes for preparing JAK inhibitors and related intermediate compounds INCYTE CORPORATION (US) 2015-03-31 US disclosed
US-8946481-B2 Process for preparing biaryl substituted 4-amino butyric acid or derivatives thereof and their use in the production of NEP inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946481-B2 Process for preparing biaryl substituted 4-amino butyric acid or derivatives thereof and their use in the production of NEP inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20130253193-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION (US) 2013-09-26 US disclosed
US-20130253193-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION (US) 2013-09-26 US disclosed
US-20130066101-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS NOVARTIS AG (CH) 2013-03-14 US disclosed
US-20130066101-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS NOVARTIS AG (CH) 2013-03-14 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 (2 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-20130253193-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 KCNA3 2475/4885TDP1 2955/4885CYP3A4 1108/4885
US-20130066101-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS MME, REN, BCAT2 KCNA3 2827/4885TDP1 3965/4885CYP3A4 89/4885

“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.