Sugi Predict

Sugi Predict / Compounds / SCHEMBL4942959

SCHEMBL4942959

SCHEMBL4942959

CS(=O)(=O)O[C@H](c1ccccn1)[C@@H]1CN(C(=O)O)CCO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 4/20 0.34
▸ ADORA2A P29274 4/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ STAT6 P42226 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL4942968 1.00 ADORA2B (0.34) ADORA2BADORA2AKDM4ESLC6A3ABCB11
SCHEMBL3328734 0.87 GPR119 (0.42) ADORA2BADORA2A
SCHEMBL4937735 0.80 TP53 (0.43) ADORA2AKDM4EOPRK1TP53ALDH1A1
SCHEMBL4937728 0.80 TP53 (0.43) ADORA2AKDM4EOPRK1TP53ALDH1A1
SCHEMBL2340874 0.79 NOS2 (0.39) ADORA2BADORA2AKDM4ESLC6A3ABCB11
SCHEMBL4948250 0.77 SLC6A4 (0.47) KDM4ESLC6A3CYP2C9ALDH1A1CYP1A2
SCHEMBL4948245 0.77 SLC6A4 (0.47) KDM4ESLC6A3CYP2C9ALDH1A1CYP1A2
SCHEMBL3328737 0.71 TSHR (0.33) KDM4ESLC6A3ABCB11LMNAESR1
SCHEMBL27196613 0.70 SLC6A2 (0.39) ADORA2BADORA2AKDM4ESLC6A3ABCB11
SCHEMBL3329455 0.69 GPR119 (0.47) ADORA2BADORA2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 — — US disclosed
EP-1744754-A1 MORPHOLINE COMPOUNDS Pfizer Limited (GB) 2007-01-24 — — EP disclosed
US-20050250775-A1 Novel compounds FISH PAUL V 2005-11-10 — — US disclosed
WO-2005105100-A1 MORPHOLINE COMPOUNDS PFIZER LIMITED (GB) 2005-11-10 — — 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 (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-20050250775-A1 Novel compounds OPRL1, UGT1A1, NPSR1 ADORA2B 322/4885ADORA2A 915/4885KDM4E 1905/4885
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain OPRL1, MYLK2, TNNT2 ADORA2B 837/4885ADORA2A 1809/4885KDM4E 391/4885

“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.