SCHEMBL29413323

SCHEMBL29413323

O=C(N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CTSB P07858 3/20 0.46
▸ CTSL P07711 2/20 0.46
▸ PTPN1 P18031 4/20 0.45
▸ CASP3 P42574 2/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44

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
SCHEMBL15342315 1.00 MDM4 (0.49) MDM4TP53CTSBCTSLPTPN1
SCHEMBL30143778 0.95 MDM4 (0.51) MDM4TP53CTSBCTSLPTPN1
SCHEMBL29647845 0.94 GPR132 (0.44) MDM4TP53CTSBCTSLPTPN1
SCHEMBL3730261 0.91 MDM4 (0.54) MDM4TP53CASP3
SCHEMBL29385457 0.91 MDM4 (0.54) MDM4TP53CASP3
SCHEMBL119546 0.91 MDM4 (0.54) MDM4TP53CASP3
SCHEMBL29540614 0.91 MDM4 (0.54) MDM4TP53CASP3
SCHEMBL3728714 0.91 MDM4 (0.54) MDM4TP53CASP3
SCHEMBL29816502 0.91 MDM4 (0.54) MDM4TP53CASP3
SCHEMBL30291630 0.91 MDM4 (0.54) MDM4TP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177521-A1 PROCESS FOR THE PREPARATION OF DEGARELIX Fresenius Kabi Ipsum S.R.L. (IT) 2022-06-09 — — US claimed
CN-114478708-A Solid phase synthesis method of ganirelix fragment 南京汉欣医药科技有限公司 2022-05-13 — — CN claimed
CN-109575109-B Method for preparing degarelix by fragment condensation 兰州大学 2022-03-25 — — CN claimed
CN-114920804-B Cetrorelix synthesis process capable of being directly used for pilot scale amplification 厦门胜泽泰医药科技有限公司 2024-07-30 — — CN disclosed
CN-117683093-A Method for solid phase synthesis of ganirelix by fragment method 中肽生化有限公司 2024-03-12 — — CN disclosed
CN-114920804-A Sitrorelix synthesis process capable of being directly used for pilot amplification 厦门胜泽泰医药科技有限公司 2022-08-19 — — CN disclosed
US-20220177521-A1 PROCESS FOR THE PREPARATION OF DEGARELIX Fresenius Kabi Ipsum S.R.L. (IT) 2022-06-09 — — US disclosed
CN-114478708-A Solid phase synthesis method of ganirelix fragment 南京汉欣医药科技有限公司 2022-05-13 — — CN disclosed
CN-114456236-A Preparation method of degarelix acetylated impurities 深圳市健翔生物制药有限公司 2022-05-10 — — CN disclosed
CN-109575109-B Method for preparing degarelix by fragment condensation 兰州大学 2022-03-25 — — CN 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-20220177521-A1 PROCESS FOR THE PREPARATION OF DEGARELIX VIP, PEPD, SSTR4 MDM4 1240/4885TP53 804/4885CTSB 423/4885

“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