SCHEMBL20618501

SCHEMBL20618501

CCc1ccc(C(=O)N[C@@H](CC2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(OC)nc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.47
▸ GPR119 Q8TDV5 2/20 0.42
▸ SLC8A1 P32418 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KCNK3 O14649 4/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ ACKR3 P25106 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ YAP1 P46937 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL23087984 0.91 MMP13 (0.48) MMP13GPR119KDM4EPKMKCNK3
SCHEMBL23087985 0.91 MMP13 (0.48) MMP13GPR119KDM4EPKMKCNK3
SCHEMBL20618516 0.90 MMP13 (0.45) MMP13GPR119SLC8A1KDM4EPKM
SCHEMBL20618714 0.90 MMP13 (0.45) MMP13GPR119SLC8A1KDM4EPKM
SCHEMBL23111254 0.90 MMP13 (0.45) MMP13GPR119SLC8A1KDM4EPKM
SCHEMBL20601286 0.90 MMP13 (0.45) MMP13GPR119SLC8A1KDM4EPKM
SCHEMBL20601285 0.90 MMP13 (0.45) MMP13GPR119SLC8A1KDM4EPKM
SCHEMBL20601388 0.90 SLC8A1 (0.42) MMP13SLC8A1KCNK3NPC1ALDH1A1
SCHEMBL20601383 0.90 SLC8A1 (0.42) MMP13SLC8A1KCNK3NPC1ALDH1A1
SCHEMBL23111438 0.85 KDM4E (0.49) MMP13GPR119KDM4EPKMACKR3

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-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 — — US disclosed
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 — — 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 (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-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 MMP13 1291/4885GPR119 41/4885SLC8A1 3186/4885

“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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