SCHEMBL20586242

SCHEMBL20586242

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ MDM2 Q00987 2/20 0.40
▸ ADAMTS5 Q9UNA0 4/20 0.40
▸ MAPT P10636 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL31749265 0.94 KMT2A (0.54) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL27214060 0.94 KMT2A (0.54) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL14007040 0.92 KMT2A (0.51) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL14450381 0.89 KMT2A (0.46) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL12972568 0.89 MEN1 (0.45) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL13227693 0.89 KMT2A (0.45) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL17190820 0.88 KMT2A (0.45) KMT2AMEN1MDM2MAPTSMN1; SMN2
SCHEMBL14123991 0.88 NPC1 (0.44) KMT2AMEN1NPC1RAB9AMDM2
SCHEMBL31146900 0.88 KMT2A (0.45) KMT2AMEN1NPC1RAB9AMDM2
SCHEMBL29368397 0.88 KMT2A (0.45) KMT2AMEN1NPC1RAB9AMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168114-B2 Process for the manufacture of degarelix and its intermediates Fresenius Kabi iPSUM S.r.l (IT) 2021-11-09 — — US disclosed
US-20200172577-A9 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES Fresenius Kabi Ipsum S.R.L. (IT) 2020-06-04 — — US disclosed
US-20180362588-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES FRESENIUS KABI IPSUM S R L (IT) 2018-12-20 — — 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 (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-11168114-B2 Process for the manufacture of degarelix and its intermediates ANPEP, DNPEP, NPPA KMT2A 1638/4885MEN1 2301/4885NPC1 3482/4885
US-20200172577-A9 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES ANPEP, DNPEP, NPPA KMT2A 1638/4885MEN1 2301/4885NPC1 3482/4885
US-20180362588-A1 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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