SCHEMBL22223319

SCHEMBL22223319

O=C(CCCCCN1C(=O)C=CC1=O)NCC(NC(=O)CCCCCCCCCCCCCCCC(C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.48
▸ PTGS2 P35354 7/20 0.48
▸ MGLL Q99685 4/20 0.40
▸ FAAH O00519 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.40

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
SCHEMBL22223321 0.91 PTGS1 (0.61) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL22044572 0.89 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL24588972 0.87 PTGS1 (0.42) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL22223432 0.86 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL12946729 0.85 NOD1 (0.49) PTGS1PTGS2NOD1
SCHEMBL24589079 0.84 PTGS1 (0.43) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL24864492 0.83 PTGS1 (0.49) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL27292160 0.83 PTGS1 (0.49) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL22311921 0.82 PTGS1 (0.61) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL31722260 0.81 SLC6A5 (0.54) PTGS1PTGS2MGLLFAAHALDH1A1

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-20220204976-A1 RNAi Agents for Inhibiting Expression of HIF-2 alpha (EPAS1), Compositions Thereof, and Methods of Use SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2022-06-30 — — US disclosed
WO-2020146521-A2 RNAI AGENTS FOR INHIBITING EXPRESSION OF HIF-2 ALPHA (EPAS1), COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2020-07-16 — — 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-20220204976-A1 RNAi Agents for Inhibiting Expression of HIF-2 alpha (EPAS1), Compositions Thereof, and Methods of Use EPAS1, HIF1AN, HIF1A PTGS1 1489/4885PTGS2 607/4885MGLL 4825/4885

“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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