SCHEMBL20618516

SCHEMBL20618516

COc1ccc([C@H](CC2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)c2ccc(Br)s2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.45
▸ GPR119 Q8TDV5 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ACKR3 P25106 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ SLC8A1 P32418 2/20 0.38
▸ 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
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ YAP1 P46937 1/20 0.37
▸ KCNK3 O14649 4/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37

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) MMP13GPR119KDM4EPKMACKR3
SCHEMBL23087985 0.91 MMP13 (0.48) MMP13GPR119KDM4EPKMACKR3
SCHEMBL20601285 0.91 MMP13 (0.45) MMP13GPR119KDM4EPKMACKR3
SCHEMBL20601286 0.91 MMP13 (0.45) MMP13GPR119KDM4EPKMACKR3
SCHEMBL23111254 0.91 MMP13 (0.45) MMP13GPR119KDM4EPKMACKR3
SCHEMBL20618714 0.91 MMP13 (0.45) MMP13GPR119KDM4EPKMACKR3
SCHEMBL20618501 0.90 MMP13 (0.47) MMP13GPR119KDM4EPKMACKR3
SCHEMBL23087976 0.89 SLC8A1 (0.41) MMP13SLC8A1ALDH1A1L3MBTL1KCNK3
SCHEMBL23087975 0.89 SLC8A1 (0.41) MMP13SLC8A1ALDH1A1L3MBTL1KCNK3
SCHEMBL23111238 0.86 GPR119 (0.48) MMP13GPR119KDM4EPKMPIK3CD

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 41/4885KDM4E 657/4885

“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.

Send feedback