SCHEMBL20547883

SCHEMBL20547883

COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NC(=O)O)c3ccccc3)c2=O)c1F

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.86
CYP3A4 P08684 12/20 0.86
ADRB2 P07550 1/20 0.78
APLNR P35414 1/20 0.78
OPRK1 P41145 1/20 0.78
GLP1R P43220 1/20 0.78
CX3CR1 P49238 1/20 0.78
FFAR4 Q5NUL3 1/20 0.78
GPR119 Q8TDV5 1/20 0.78

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
SCHEMBL20547884 1.00 GNRHR (0.86) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL21694888 0.95 GNRHR (0.84) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL30153581 0.93 GNRHR (0.84) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL21132894 0.93 GNRHR (0.79) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL29707992 0.93 GNRHR (0.79) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL31110348 0.93 GNRHR (0.79) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL21132895 0.93 GNRHR (0.79) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL26928891 0.93 GNRHR (0.79) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL23193840 0.92 GNRHR (0.86) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL21132899 0.92 GNRHR (0.86) GNRHRCYP3A4ADRB2APLNROPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114790178-B Preparation method of oxaagoli sodium 福安药业集团宁波天衡制药有限公司 2024-04-09 CN claimed
CN-114790178-A Preparation method of oxa-goril sodium 福安药业集团宁波天衡制药有限公司 2022-07-26 CN claimed
CN-114790178-B Preparation method of oxaagoli sodium 福安药业集团宁波天衡制药有限公司 2024-04-09 CN disclosed
US-20220242831-A1 IMPROVED PROCESS FOR THE PREPARATION OF ELAGOLIX AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LIMITED (IN) 2022-08-04 US disclosed
CN-114790178-A Preparation method of oxa-goril sodium 福安药业集团宁波天衡制药有限公司 2022-07-26 CN disclosed
CN-109810065-B Synthesis method of oxaagolide 安徽华胜医药科技有限公司 2022-07-15 CN disclosed
EP-3724167-A1 PROCESS FOR PREPARING ELAGOLIX Synthon B.V. (NL) 2020-10-21 EP disclosed
WO-2019115019-A1 PROCESS FOR PREPARING ELAGOLIX SYNTHON B.V. (NL) 2019-06-20 WO disclosed
WO-2018198086-A1 PROCESS FOR THE PREPARATION OF ELAGOLIX AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LUPIN LIMITED (IN) 2018-11-01 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-20220242831-A1 IMPROVED PROCESS FOR THE PREPARATION OF ELAGOLIX AND ITS INTERMEDIATES PCSK9, XPO5, HAX1 GNRHR 1142/4885CYP3A4 836/4885ADRB2 3452/4885

“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.