SCHEMBL20487487

SCHEMBL20487487

COc1cc(CO)c(C)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.48
SUV39H2 Q9H5I1 1/20 0.44
PGR P06401 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
IMPDH2 P12268 2/20 0.42
IMPDH1 P20839 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL19453683 0.85 SUV39H2 (0.44) ARSUV39H2PGRPDE4APDE4B
SCHEMBL4693094 0.82 PDE4A (0.46) ARSUV39H2PGRPDE4APDE4B
SCHEMBL12736224 0.77 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL2786569 0.77 AR (0.58) ARPGRIMPDH2IMPDH1KDM4E
SCHEMBL20487126 0.75 AR (0.42) ARIMPDH2KDM4EUSP2ALDH1A1
SCHEMBL21596899 0.75 TRPV4 (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL2761994 0.74 ALDH1A1 (0.59) ARPGRIMPDH2IMPDH1KDM4E
SCHEMBL6154467 0.74 AR (0.51) ARPGRIMPDH2IMPDH1KDM4E
SCHEMBL1039728 0.74 AR (0.54) ARPGRIMPDH2IMPDH1KDM4E
SCHEMBL14437632 0.74 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110337440-B Compounds useful for inhibition of ROR-gamma-t 伊莱利利公司 2021-08-03 CN disclosed
US-11008336-B2 Compounds useful for inhibiting RORγt ELI LILLY AND COMPANY (US) 2021-05-18 US disclosed
US-11008336-B2 Compounds useful for inhibiting RORγt ELI LILLY AND COMPANY (US) 2021-05-18 US disclosed
EP-3589638-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2021-04-07 EP disclosed
EP-3589638-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2021-04-07 EP disclosed
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY 2020-02-13 US disclosed
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY 2020-02-13 US disclosed
WO-2018160550-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY (US) 2018-09-07 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-11008336-B2 Compounds useful for inhibiting RORγt RORB, RORC, RORA AR 704/4885SUV39H2 1796/4885PGR 1507/4885
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T RORC, RORB, RORA AR 1486/4885SUV39H2 1811/4885PGR 2177/4885

“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.