SCHEMBL19782422

SCHEMBL19782422

Cc1ccc(S(=O)(=O)OCC2CCN(C(=O)OCc3ccc(-c4ccc(C(=O)C(=O)O)cc4)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.53
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TPSAB1 Q15661 2/20 0.41
TPSD1 Q9BZJ3 2/20 0.41
TPSG1 Q9NRR2 2/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
HPN P05981 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40

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
SCHEMBL4828216 0.86 GRIN2B (0.61) GRIN2BALDH1A1KDM4ENPSR1SMN1; SMN2
SCHEMBL17063265 0.85 GRIN2B (0.57) GRIN2BALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL19475555 0.85 GRIN2B (0.57) GRIN2BALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL10639596 0.82 GRIN2B (0.56) GRIN2BALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL29927194 0.81 GRIN2B (0.55) GRIN2BALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL10385453 0.81 ALDH1A1 (0.58) GRIN2BALDH1A1KDM4ETSHRNPSR1
SCHEMBL5452029 0.81 GRIN2B (0.53) GRIN2BALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL7350346 0.77 BCL9 (0.48) GRIN2BALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29201731 0.77 GRIN2B (0.53) GRIN2BALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL180293 0.76 ALDH1A1 (0.46) GRIN2BALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2019-02-05 US disclosed
US-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 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-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B GRIN2B 388/4885ALDH1A1 1087/4885KDM4E 4716/4885
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B GRIN2B 388/4885ALDH1A1 1087/4885KDM4E 4716/4885

“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.