SCHEMBL4395697

SCHEMBL4395697

COc1ccc(NC(=O)OC(C)(C)C)c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
KCNK2 O95069 1/20 0.53
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
CA2 P00918 2/20 0.50
HPGD P15428 1/20 0.50
GFER P55789 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PLK1 P53350 1/20 0.48
PLK3 Q9H4B4 1/20 0.48
AKR1C3 P42330 7/20 0.47
AKR1C2 P52895 7/20 0.47
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL27969536 0.89 KDM4E (0.51) MAPTKCNK2POLBCA2HPGD
SCHEMBL31619048 0.87 KMT2A (0.52) MAPTMEN1LMNAKMT2ACA2
SCHEMBL1767849 0.87 KMT2A (0.52) MAPTMEN1LMNAKMT2ACA2
SCHEMBL2795277 0.85 NPC1 (0.46) MAPTMEN1LMNAKMT2APOLB
SCHEMBL31372038 0.85 NPC1 (0.46) MAPTMEN1LMNAKMT2APOLB
SCHEMBL687475 0.85 IGF2BP2 (0.58) MAPTKCNK2LMNAPOLBKDM4E
SCHEMBL27852761 0.84 MEN1 (0.56) MAPTMEN1KMT2AHPGDGFER
SCHEMBL7953540 0.83 STS (0.43) MAPTLMNASMN1; SMN2HPGDKDM4E
SCHEMBL24253966 0.82 POLB (0.56) MAPTMEN1KMT2APOLBCA2
SCHEMBL2589170 0.82 ALDH1A1 (0.63) MAPTMEN1LMNAKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576241-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2009-08-18 US disclosed
US-7473779-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-01-06 US disclosed
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2006-04-20 US disclosed
US-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2005-11-24 US disclosed
CN-1148367-C Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing same ��ѧ�о���Ӧ����ѯ��˾ 2004-05-05 CN disclosed
US-6653312-B1 Such as 3-((3-((amino(2-thienyl)methylideneamino)-benzyl)-amino)-N-(1- methyl-2,3-dihydro-1H-indol-5-yl)propanamide; NO-synthase enzyme inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-11-25 US disclosed
CN-1324353-A Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing same SOD CONSEILS RECH APPLIC (FR) 2001-11-28 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 (2 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-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS2, NOS1, NOS3 MAPT 2048/4885KCNK2 2984/4885MEN1 2716/4885
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 MAPT 1719/4885KCNK2 3078/4885MEN1 243/4885

“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.