SCHEMBL1325516

SCHEMBL1325516

C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PAX8 Q06710 1/20 0.36
KDM4E B2RXH2 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
MMP13 P45452 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
SCHEMBL1325515 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2GABRB1
SCHEMBL995191 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2GABRB1
SCHEMBL6041219 0.93 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2GABRB1
SCHEMBL6139041 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2GABRB1
SCHEMBL27597529 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2GABRB1
SCHEMBL8507676 0.86 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2GABRB1
SCHEMBL9382586 0.84 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL642839 0.84 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL8709208 0.84 ALOX15 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2PPARG
SCHEMBL8709207 0.84 ALOX15 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2PPARG

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 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084176-B1 BOC AND FMOC SOLID PHASE PEPTIDE SYNTHESIS IPSEN MFG IRELAND LIMITED (IE) 2018-05-30 EP disclosed
WO-2017212390-A1 PROCESS FOR LANREOTIDE ACETATE PREPARATION EMCURE PHARMACEUTICALS LTD, (IN) 2017-12-14 WO disclosed
US-9822146-B2 Process for the manufacture of degarelix and its intermediates FERRING B.V. (NL) 2017-11-21 US disclosed
EP-2632935-B1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES FERRING BV (NL) 2016-09-21 EP disclosed
US-20160145301-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES FERRING BV (NL) 2016-05-26 US disclosed
US-20150284424-A1 BOC AND FMOC SOLID PHASE PEPTIDE SYNTHESIS IPSEN MANUFACTURING IRELAND LIMITED (IE) 2015-10-08 US disclosed
US-9090654-B2 Boc and Fmoc solid phase peptide synthesis IPSEN MANUFACTURING IRELAND LIMITED (IE) 2015-07-28 US disclosed
US-9090656-B2 Process for the manufacture of Degarelix and its intermediates FERRING B.V. (NL) 2015-07-28 US disclosed
CN-104530190-A Boc and Fmoc solid phase peptide synthesis IPSEN MFG IRELAND LTD 2015-04-22 CN disclosed
US-20130338337-A1 BOC AND FMOC SOLID PHASE PEPTIDE SYNTHESIS IPSEN MANUFACTURING IRELAND LIMITED (IE) 2013-12-19 US disclosed
US-5147856-A Administering cyclic peptide prior to, during, and after surgery SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1992-09-15 US disclosed
WO-1992013554-A1 METHOD OF TREATING BENIGN AND MALIGNANT PROLIFERATIVE SKIN DISEASE BIOMEASURE, INC. (US) 1992-08-20 WO disclosed
EP-0389180-A1 Peptides and their use in therapy BIOMEASURE, INC. (US) 1990-09-26 EP disclosed
US-4904642-A Therapeutic somatostatin analogs THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1990-02-27 US disclosed
EP-0344297-A1 TREATMENT OF CANCER WITH SOMATOSTATIN AND ANALOGS THEREOF The Administrators of The Tulane Educational Fund (US) 1989-12-06 EP disclosed
US-4853371-A Therapeutic somatostatin analogs THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1989-08-01 US disclosed
EP-0298732-A2 Therapeutic Somatostatin analogues The Administrators of The Tulane Educational Fund (US) 1989-01-11 EP disclosed
EP-0277419-A2 Therapeutic somatostatin analogues THE ADMINISTRATORS OF THE TULANE UNIVERSITY EDUCATIONAL FUND (US) 1988-08-10 EP disclosed
EP-0215171-A2 Peptides THE ADMINISTRATORS OF THE TULANE UNIVERSITY EDUCATIONAL FUND (US) 1987-03-25 EP disclosed
EP-0166355-A2 Substituted aminophenyl compounds and acylaminophenyl compounds and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-02 EP 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-20160145301-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES VIP, HABP2, DPP9 MEN1 1744/4885KMT2A 3948/4885ALDH1A1 2182/4885

“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.