SCHEMBL17765005

SCHEMBL17765005

COCCOCCOCCOCCOCCOCCOCCNS(=O)(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.40
▸ ALDH1A1 P00352 8/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ POLB P06746 3/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RECQL P46063 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6333236 0.87 — —
SCHEMBL14853505 0.81 CA2 (0.41) CA2ALDH1A1LMNAHPGDKDM4E
SCHEMBL14415060 0.81 CA2 (0.41) CA2ALDH1A1LMNAHPGDKDM4E
SCHEMBL8404335 0.80 CA2 (0.38) CA2ALDH1A1LMNAHPGDKDM4E
SCHEMBL8592245 0.79 CA2 (0.40) CA2ALDH1A1LMNAHPGDKDM4E
SCHEMBL15116352 0.79 EPHX1 (0.46) CA2ALDH1A1LMNAHPGDKDM4E
SCHEMBL7666103 0.78 MAPK1 (0.50) ALDH1A1LMNAHPGDKDM4ESMN1; SMN2
SCHEMBL17327626 0.76 ALDH1A1 (0.48) CA2ALDH1A1LMNAHPGDKDM4E
SCHEMBL19042264 0.76 EPHX1 (0.36) CA2ALDH1A1LMNAHPGDKDM4E
SCHEMBL27256366 0.75 CA2 (0.37) CA2ALDH1A1LMNAHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111214-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2021-09-07 — — US disclosed
US-11111214-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2021-09-07 — — US disclosed
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2019-11-21 — — US disclosed
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2019-11-21 — — US disclosed
EP-3013812-B1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2019-10-16 — — EP disclosed
EP-3013812-B1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2019-10-16 — — EP disclosed
US-10407416-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2019-09-10 — — US disclosed
US-10407416-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2019-09-10 — — US disclosed
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-01-18 — — US disclosed
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-01-18 — — US disclosed
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-01-18 — — US disclosed
US-9815824-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2017-11-14 — — US disclosed
US-9815824-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2017-11-14 — — US disclosed
US-9815824-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2017-11-14 — — US disclosed
US-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2016-05-26 — — US disclosed
US-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2016-05-26 — — 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 (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-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 CA2 2579/4885ALDH1A1 762/4885LMNA 3742/4885
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 CA2 2579/4885ALDH1A1 762/4885LMNA 3742/4885
US-11111214-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRM1 CA2 2651/4885ALDH1A1 782/4885LMNA 3767/4885
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRL1 CA2 2876/4885ALDH1A1 1006/4885LMNA 4330/4885
US-10407416-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRL1 CA2 2876/4885ALDH1A1 1006/4885LMNA 4330/4885

“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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