SCHEMBL4586188

SCHEMBL4586188

CCCCOC(=O)[C@@H](N)[C@@H](C)OCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
ATM Q13315 1/20 0.42
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4D Q08499 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ESR1 P03372 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
NAAA Q02083 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL16561709 1.00 ALDH1A1 (0.45) ALDH1A1ATMTSHRLMNACYP1A2
SCHEMBL18078270 0.96 NAAA (0.43) ALDH1A1ATMTSHRLMNACYP1A2
SCHEMBL26789944 0.87 CA1 (0.42) ALDH1A1ATMTSHRLMNACYP1A2
SCHEMBL10308586 0.83 SLC7A5 (0.41) ALDH1A1ATMMAPK1HCAR2
SCHEMBL15936938 0.83 SLC7A5 (0.41) ALDH1A1ATMMAPK1HCAR2
SCHEMBL1923182 0.82 ALDH1A1 (0.50) ALDH1A1ATMTSHRLMNACYP1A2
SCHEMBL7786498 0.82 ALDH1A1 (0.50) ALDH1A1ATMTSHRLMNACYP1A2
SCHEMBL14242995 0.82 ALDH1A1 (0.50) ALDH1A1ATMTSHRLMNACYP1A2
SCHEMBL1923181 0.82 ALDH1A1 (0.50) ALDH1A1ATMTSHRLMNACYP1A2
SCHEMBL17030299 0.81 ALDH1A1 (0.36) ALDH1A1ATMTSHRLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758540-A4 PURIFICATION OF INSULIN-LIKE MATERIAL BY REVERSE PHASE CHROMATOGRAPHY WOCKHARDT LTD (IN) 2007-06-20 EP claimed
EP-1758540-A1 PURIFICATION OF INSULIN-LIKE MATERIAL BY REVERSE PHASE CHROMATOGRAPHY Wockhardt Limited (IN) 2007-03-07 EP claimed
WO-2005115303-A1 PURIFICATION OF INSULIN-LIKE MATERIAL BY REVERSE PHASE CHROMATOGRAPHY WOCKHARDT LIMITED (IN) 2005-12-08 WO claimed
US-20170196879-A1 Use of Inhibitor of Apoptosis Protein (IAP) Antagonists in HIV Therapy Sanford Burnham Prebys Medical Discovery Institute 2017-07-13 US disclosed
US-20170081362-A1 Inhibitor of Apoptosis Protein (IAP) Antagonists SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2017-03-23 US disclosed
US-9546174-B2 Inhibitor of apoptosis protein (IAP) antagonists SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-01-17 US disclosed
WO-2015187998-A2 USE OF INHIBITOR OF APOPTOSIS PROTEIN (IAP) ANTAGONISTS IN HIV THERAPY SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-10 WO disclosed
US-20150307499-A1 INHIBITOR OF APOPTOSIS PROTEIN (IAP) ANTAGONISTS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2015-10-29 US disclosed
WO-2014085489-A1 INHIBITOR OF APOPTOSIS PROTEIN (IAP) ANTAGONISTS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-05 WO disclosed
EP-1581627-A4 YEAST PROTEIN EXPRESSION SECRETION SYSTEM WOCKHARDT LTD (IN) 2008-06-11 EP disclosed
US-20080108787-A1 Purification of Insulin-Like Material by Reverse Phase Chromatography WOCKHARDT LIMITED (IN) 2008-05-08 US disclosed
EP-1758540-A4 PURIFICATION OF INSULIN-LIKE MATERIAL BY REVERSE PHASE CHROMATOGRAPHY WOCKHARDT LTD (IN) 2007-06-20 EP disclosed
EP-1758540-A1 PURIFICATION OF INSULIN-LIKE MATERIAL BY REVERSE PHASE CHROMATOGRAPHY Wockhardt Limited (IN) 2007-03-07 EP disclosed
US-20060234351-A1 Yeast protein expression secretion system WOCHARDT LIMITED (IN) 2006-10-19 US disclosed
WO-2005115303-A1 PURIFICATION OF INSULIN-LIKE MATERIAL BY REVERSE PHASE CHROMATOGRAPHY WOCKHARDT LIMITED (IN) 2005-12-08 WO disclosed
EP-1581627-A2 YEAST PROTEIN EXPRESSION SECRETION SYSTEM Wockhardt Limited (IN) 2005-10-05 EP disclosed
WO-2004024862-A2 YEAST PROTEIN EXPRESSION SECRETION SYSTEM WOCKHARDT LIMITED (IN) 2004-03-25 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 (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-20170081362-A1 Inhibitor of Apoptosis Protein (IAP) Antagonists API5, XIAP, BIRC5 ALDH1A1 4555/4885ATM 1822/4885TSHR 4582/4885
US-20170196879-A1 Use of Inhibitor of Apoptosis Protein (IAP) Antagonists in HIV Therapy API5, BIRC3, XIAP ALDH1A1 2629/4885ATM 2911/4885TSHR 4807/4885
US-20150307499-A1 INHIBITOR OF APOPTOSIS PROTEIN (IAP) ANTAGONISTS API5, XIAP, BIRC5 ALDH1A1 4556/4885ATM 1783/4885TSHR 4620/4885

“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.