SCHEMBL7104488

SCHEMBL7104488

COCC(=O)C1(NCC(=O)O)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.34
MME P08473 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
F2 P00734 1/20 0.31
PROC P04070 1/20 0.31
CYP3A4 P08684 1/20 0.30
DPP4 P27487 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7386060 0.80 MME (0.38) MMECYP2C19ALDH1A1F2PROC
SCHEMBL5634108 0.77 MME (0.38) MMEMAPTCYP2C19ALDH1A1F2
SCHEMBL2588409 0.74 MME (0.41) MMECYP2C19ALDH1A1F2PROC
SCHEMBL1782571 0.72 MME (0.33) MMEMAPTCYP2C19ALDH1A1L3MBTL1
Water SCHEMBL6244439 0.71 MME (0.32) MMEMAPTCYP2C19ALDH1A1L3MBTL1
SCHEMBL15764684 0.70 NPSR1 (0.38) NPSR1CYP2C19ALDH1A1CYP3A4
SCHEMBL6864504 0.70 MME (0.33) NPSR1MMEF2PROC
SCHEMBL5101551 0.69 NPSR1 (0.43) NPSR1MAPTCYP2C19ALDH1A1L3MBTL1
SCHEMBL1781639 0.69 DPP4 (0.49) MMECYP2C19EGLN1ALDH1A1PTGDR
SCHEMBL10487590 0.68 F2 (0.36) MMEMAPTALDH1A1F2PROC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030078436-A1 Process for the catalytic preparation of N-acylglycine derivatives GEISSLER HOLGER (DE) 2003-04-24 US disclosed
EP-0918745-B1 CATALYTIC PREPARATION PROCESS OF N-ACYLGLYCINE DERIVATIVES AVENTIS RES & TECH GMBH & CO (DE) 2001-11-28 EP disclosed
US-20010007911-A1 CATALYTIC PREPARATION PROCESS OF N-ACYLGLYCINE DERIVATIVES AVENTIS RESEARCH & TECHNOLOGIES DEUTCHLAND GMBH & CO. KG. (DE) 2001-07-12 US disclosed
EP-0918745-A1 CATALYTIC PREPARATION PROCESS OF N-ACYLGLYCINE DERIVATIVES Aventis Research & Technologies GmbH & Co KG (DE) 1999-06-02 EP disclosed
WO-1998004518-A1 CATALYTIC PREPARATION PROCESS OF N-ACYLGLYCINE DERIVATIVES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-02-05 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 (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-20010007911-A1 CATALYTIC PREPARATION PROCESS OF N-ACYLGLYCINE DERIVATIVES ACACA, ACOX1, APEH NPSR1 3078/4885MME 2698/4885MAPT 4847/4885
US-20030078436-A1 Process for the catalytic preparation of N-acylglycine derivatives GNMT, ALKBH3, DDC NPSR1 2315/4885MME 1316/4885MAPT 4720/4885

“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.