SCHEMBL4420610

SCHEMBL4420610

C[C@H](Nc1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
LMNA P02545 2/20 0.57
RAB9A P51151 10/20 0.57
NPC1 O15118 8/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
MAPT P10636 6/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
POLB P06746 3/20 0.57
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
TP53 P04637 3/20 0.52
ALDH1A1 P00352 3/20 0.51
PKM P14618 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL29714984 1.00 TSHR (0.58) TSHRLMNARAB9ANPC1SMN1; SMN2
SCHEMBL4420607 1.00 TSHR (0.58) TSHRLMNARAB9ANPC1SMN1; SMN2
SCHEMBL6379969 0.91 TSHR (0.70) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6379973 0.91 TSHR (0.70) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL11197062 0.85 LMNA (0.55) TSHRLMNARAB9ANPC1SMN1; SMN2
SCHEMBL4986237 0.85 MAPT (0.58) LMNARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL11197060 0.85 LMNA (0.55) TSHRLMNARAB9ANPC1SMN1; SMN2
SCHEMBL4986231 0.85 MAPT (0.58) LMNARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4414791 0.80 LMNA (0.56) TSHRLMNARAB9ANPC1SMN1; SMN2
SCHEMBL4414790 0.80 LMNA (0.56) TSHRLMNARAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045725-A1 Method for the production of aromatic or heteroaromatic aldehydes or ketones by oxidative decarboxylation DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2003-03-06 US claimed
EP-1274670-A1 METHOD FOR THE PRODUCTION OF AROMATIC OR HETEROAROMATIC ALDEHYDES OR KETONES BY OXIDATIVE DECARBOXYLATION DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-01-15 EP claimed
WO-2001079147-A1 METHOD FOR THE PRODUCTION OF AROMATIC OR HETEROAROMATIC ALDEHYDES OR KETONES BY OXIDATIVE DECARBOXYLATION DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2001-10-25 WO claimed
EP-0370454-B1 Renin-inhibiting amino diol derivatives HOECHST AG (DE) 1994-04-20 EP claimed
EP-0373549-B1 AMINO ACID DERIVATIVES WITH ENZYME-INHIBITING PROPERTIES, PROCESS TO SYNTHETISE THEM, COMPOSITION CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-01 EP claimed
US-5204357-A RENIN-INHIBITING AMINO ACID DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-20 US claimed
EP-0373549-A2 Amino acid derivatives with enzyme-inhibiting properties, process to synthetise them, composition containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-20 EP claimed
EP-0372537-A2 Urea derivatives of dipeptides with enzyme-inhibiting properties, process to make them, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-13 EP claimed
EP-0370383-A2 Renin-inhibiting dipeptides, process to make them, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP claimed
EP-0370382-A2 Urea dipeptide derivatives with a renin-inhibiting activity, process to produce them, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP claimed
EP-0370454-A2 Renin-inhibiting amino diol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP claimed
EP-0329013-A2 Renin-inhibiting amino acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP claimed
EP-0310015-A2 Renin-inhibiting dipeptides, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-05 EP claimed
EP-0951466-B1 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2009-01-21 EP disclosed
US-20050272666-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING 2005-12-08 US disclosed
US-20040058900-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2004-03-25 US disclosed
EP-0370382-A2 Urea dipeptide derivatives with a renin-inhibiting activity, process to produce them, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP disclosed
EP-0370454-A2 Renin-inhibiting amino diol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP disclosed
EP-0329013-A2 Renin-inhibiting amino acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP disclosed
EP-0310015-A2 Renin-inhibiting dipeptides, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-05 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 (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-20050272666-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 TSHR 4512/4885LMNA 1272/4885RAB9A 2465/4885
US-20030045725-A1 Method for the production of aromatic or heteroaromatic aldehydes or ketones by oxidative decarboxylation AOX1, ALDH5A1, AOC2 TSHR 3851/4885LMNA 2627/4885RAB9A 4012/4885
US-20040058900-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 TSHR 4538/4885LMNA 1339/4885RAB9A 2521/4885

“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.