SCHEMBL30438809

SCHEMBL30438809

CC(C)Oc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)c4ccccc34)no2)cc1C#N

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.62
S1PR3 Q99500 6/20 0.57
S1PR5 Q9H228 5/20 0.57
MAP4K4 O95819 1/20 0.56
MINK1 Q8N4C8 1/20 0.56

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
SCHEMBL24176950 1.00 S1PR1 (0.62) S1PR1S1PR3S1PR5MAP4K4MINK1
Hydrochloric Acid SCHEMBL25167021 0.99 S1PR1 (0.62) S1PR1S1PR3S1PR5MAP4K4MINK1
Hydrochloric Acid SCHEMBL31085584 0.99 S1PR1 (0.62) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL30439244 0.95 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL24176978 0.95 S1PR1 (0.61) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL25174473 0.94 S1PR1 (0.60) S1PR1S1PR3S1PR5
SCHEMBL24176899 0.94 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL30438813 0.94 S1PR1 (0.59) S1PR1S1PR3S1PR5
SCHEMBL24176909 0.94 S1PR1 (0.59) S1PR1S1PR3S1PR5
SCHEMBL24176901 0.93 S1PR1 (0.60) S1PR1S1PR3S1PR5

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-20240208954-A1 OXADIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-06-27 US claimed
EP-4177255-A1 OXADIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-05-10 EP claimed
US-20240208954-A1 OXADIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-06-27 US disclosed
EP-4177255-A1 OXADIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-05-10 EP 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 (1 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-20240208954-A1 OXADIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF SUCNR1, GPR35, P2RY11 S1PR1 26/4885S1PR3 12/4885S1PR5 23/4885

“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.