SCHEMBL599716

SCHEMBL599716

CC(C)(C)NC(=O)Nc1ccc(C[C@H](N)C(=O)OC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GHSR Q92847 1/20 0.35
▸ MDM2 Q00987 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ ITGB5 P18084 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ GRB2 P62993 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL18986722 0.87 EPHX2 (0.42) EPHX2KMT2ACA1CA2CASP3
SCHEMBL2820518 0.81 ACACB (0.40) EPHX2KMT2ACA1CA2
SCHEMBL29599644 0.79 MDM2 (0.49) MDM2ITGB3ITGB1ITGAVITGA2B
SCHEMBL29402071 0.79 MDM2 (0.49) MDM2ITGB3ITGB1ITGAVITGA2B
SCHEMBL18301502 0.79 KMT2A (0.40) EPHX2KMT2AMDM2CA1CA2
SCHEMBL15160752 0.78 EPHX2 (0.54) EPHX2KMT2AMDM2CA12CA1
SCHEMBL15160753 0.78 EPHX2 (0.54) EPHX2KMT2AMDM2CA12CA1
SCHEMBL8064068 0.78 DPP4 (0.41) EPHX2KMT2ACA1CA2
SCHEMBL8933068 0.76 PTPN1 (0.54) KMT2A
SCHEMBL21683110 0.76 EPHX2 (0.47) EPHX2KMT2AMDM2CASP3

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-11332495-B2 Process for the preparation of Degarelix acetate and Degarelix acetate-mannitol premix RK Pharma Solutions LLC (US) 2022-05-17 — — US disclosed
US-20210094984-A1 Process for the preparation of Degarelix acetate and Degarelix acetate-mannitol premix CITIBANK, N.A. 2021-04-01 — — US disclosed
EP-2421887-B1 METHOD FOR THE MANUFACTURE OF DEGARELIX POLYPEPTIDE LABORATORIES AS (DK) 2015-04-22 — — EP disclosed
US-8828938-B2 Method for the manufacture of degarelix POLYPEPTIDE LABORATORIES A/S (DK) 2014-09-09 — — US disclosed
US-20120041172-A1 METHOD FOR THE MANUFACTURE OF DEGARELIX POLYPEPTIDE LABORATORIES A/S (DK) 2012-02-16 — — US disclosed
WO-2010121835-A1 METHOD FOR THE MANUFACTURE OF DEGARELIX POLYPEPTIDE LABORATORIES A/S (DK) 2010-10-28 — — 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 (3 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-11332495-B2 Process for the preparation of Degarelix acetate and Degarelix acetate-mannitol premix PEPD, DNPEP, PREP EPHX2 3090/4885KMT2A 2862/4885MEN1 138/4885
US-20210094984-A1 Process for the preparation of Degarelix acetate and Degarelix acetate-mannitol premix PEPD, DNPEP, PREP EPHX2 3098/4885KMT2A 2874/4885MEN1 140/4885
US-20120041172-A1 METHOD FOR THE MANUFACTURE OF DEGARELIX DNPEP, PEPD, VIP EPHX2 1296/4885KMT2A 1270/4885MEN1 3458/4885

“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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