SCHEMBL29385536

SCHEMBL29385536

COc1ccc(C(N)(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(=O)NNC(c3ccccc3)c3ccc(C)cc3)cc2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL29521535 0.94 MEN1 (0.49) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL4565809 0.90 MEN1 (0.40) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL30679137 0.86 NPC1 (0.44) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL20973955 0.85 NPC1 (0.40) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL27082137 0.85 NPC1 (0.40) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL8752790 0.85 NPC1 (0.41) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL31194380 0.84 MDM2 (0.40) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL28191790 0.83 NPC1 (0.39) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL28069714 0.82 FABP5 (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL20586242 0.81 KMT2A (0.48) KMT2AMEN1NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12098218-B2 Process for the manufacture of degarelix and its intermediates Fresenius Kabi iPSUM S.r.l (IT) 2024-09-24 — — US disclosed
US-20220177521-A1 PROCESS FOR THE PREPARATION OF DEGARELIX Fresenius Kabi Ipsum S.R.L. (IT) 2022-06-09 — — US disclosed
US-11332495-B2 Process for the preparation of Degarelix acetate and Degarelix acetate-mannitol premix RK Pharma Solutions LLC (US) 2022-05-17 — — US disclosed
EP-3981781-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES Fresenius Kabi iPSUM S.r.l. (IT) 2022-04-13 — — EP disclosed
CN-108779150-B Preparation method of degarelix and intermediate thereof 费森尤斯卡比依普莎姆责任有限公司 2022-03-29 — — CN disclosed
US-20220033443-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES Fresenius Kabi iPSUM S.r.l (IT) 2022-02-03 — — US 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 (4 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 KMT2A 1346/4885MEN1 2432/4885NPC1 4260/4885
US-11332495-B2 Process for the preparation of Degarelix acetate and Degarelix acetate-mannitol premix PEPD, DNPEP, PREP KMT2A 2862/4885MEN1 138/4885NPC1 3441/4885
US-20220033443-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES ANPEP, DNPEP, NPPA KMT2A 1638/4885MEN1 2301/4885NPC1 3482/4885
US-12098218-B2 Process for the manufacture of degarelix and its intermediates ANPEP, DNPEP, NPPA KMT2A 1638/4885MEN1 2301/4885NPC1 3482/4885

“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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