SCHEMBL4044979

SCHEMBL4044979

CC(C)CC(OC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTSS P25774 3/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.39
LAP3 P28838 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FOLH1 Q04609 2/20 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
SCHEMBL8350092 1.00 TSHR (0.47) TSHRRECQLSMN1; SMN2USP2CYP3A4
SCHEMBL7279994 0.85 TSHR (0.49) TSHRRECQLSMN1; SMN2USP2CYP3A4
SCHEMBL8608851 0.84 FOLH1 (0.40) POLBALDH1A1MEN1KMT2ALAP3
SCHEMBL8610410 0.84 FOLH1 (0.40) POLBALDH1A1MEN1KMT2ALAP3
SCHEMBL6651574 0.80 SMN1; SMN2 (0.49) TSHRRECQLSMN1; SMN2USP2CYP2C19
SCHEMBL6449584 0.79 TSHR (0.49) TSHRRECQLSMN1; SMN2USP2CYP3A4
SCHEMBL10624505 0.78 TSHR (0.51) TSHRRECQLSMN1; SMN2USP2CYP3A4
SCHEMBL6446161 0.78 TSHR (0.47) TSHRRECQLSMN1; SMN2USP2CYP3A4
SCHEMBL6446165 0.77 TSHR (0.46) TSHRRECQLSMN1; SMN2USP2CYP3A4
SCHEMBL12206737 0.76 TSHR (0.55) TSHRRECQLSMN1; SMN2USP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
CN-100354276-C Biologically active compounds AMURA THERAPEUTICS LTD (GB) 2007-12-12 CN disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
CN-1681817-A Biologically active compounds AMURA THERAPEUTICS LTD (GB) 2005-10-12 CN disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 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 (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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS TSHR 1023/4885RECQL 3253/4885SMN1; SMN2 3546/4885

“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.