SCHEMBL5523332

SCHEMBL5523332

NC[C@H]1CC[C@@H](CO)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.50
PLAT P00750 1/20 0.50
LMNA P02545 1/20 0.50
EPHX2 P34913 1/20 0.48
NCF1 P14598 1/20 0.42
ESR1 P03372 6/20 0.38
ESR2 Q92731 6/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 2/20 0.35
APLNR P35414 1/20 0.33

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
SCHEMBL351945 1.00 PLG (0.50) PLGPLATLMNAEPHX2NCF1
SCHEMBL5046197 1.00 PLG (0.50) PLGPLATLMNAEPHX2NCF1
Hydrochloric Acid SCHEMBL7415651 0.97 PLG (0.48) PLGPLATLMNAEPHX2NCF1
Hydrochloric Acid SCHEMBL7415656 0.97 PLG (0.48) PLGPLATLMNAEPHX2NCF1
Monoethanolamine SCHEMBL10958862 0.92 PLG (0.44) PLGPLATLMNAEPHX2NCF1
Hydrazine SCHEMBL1873192 0.83 ESR1 (0.42) PLGPLATLMNAEPHX2ESR1
SCHEMBL1703765 0.83 PLG (0.55) PLGPLATLMNAEPHX2NCF1
SCHEMBL48375 0.83 PLG (0.55) PLGPLATLMNAEPHX2NCF1
SCHEMBL6802 0.83
SCHEMBL432248 0.83 PLG (0.55) PLGPLATLMNAEPHX2NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
EP-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A PLG 2223/4885PLAT 4798/4885LMNA 4506/4885

“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.