SCHEMBL3756539

SCHEMBL3756539

CN1C(=O)OCC1Cc1ccc(Oc2ccc(/C=C3/SC(=O)NC3=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.52
AKR1B1 P15121 3/20 0.52
PIM1 P11309 4/20 0.51
PIM2 Q9P1W9 4/20 0.51
CISD1 Q9NZ45 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
IGF1R P08069 1/20 0.48
PTPN1 P18031 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
PTGS2 P35354 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL3756544 1.00 HPGD (0.52) HPGDAKR1B1PIM1PIM2CISD1
SCHEMBL3765524 0.92 MMP3 (0.55) NPC1RAB9APTGS2POLB
SCHEMBL12997314 0.92 MMP3 (0.55) NPC1RAB9APTGS2POLB
SCHEMBL3765526 0.92 MMP3 (0.55) NPC1RAB9APTGS2POLB
SCHEMBL3758497 0.89 ESRRA (0.58) HPGDPIM1PIM2IGF1R
SCHEMBL3754090 0.89 HPGD (0.50) HPGD
SCHEMBL3758583 0.89 HPGD (0.46) HPGDAKR1B1PIM1PIM2CISD1
SCHEMBL3758581 0.89 HPGD (0.46) HPGDAKR1B1PIM1PIM2CISD1
SCHEMBL3754087 0.89 HPGD (0.50) HPGD
SCHEMBL3758500 0.89 ESRRA (0.58) HPGDPIM1PIM2IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 US claimed
US-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 US disclosed
US-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 US disclosed
US-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 US disclosed
EP-1868990-A2 NOVEL HETEROCYCLIC DERIVATIVES Orchid Research Laboratories Limited (IN) 2007-12-26 EP disclosed
WO-2006109146-A2 NOVEL HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2006-10-19 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-20100305174-A1 Novel Heterocyclic Derivatives UGT1A1, CYP3A4, CYP3A43 HPGD 228/4885AKR1B1 85/4885PIM1 1211/4885

“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.