SCHEMBL3300855

SCHEMBL3300855

O=C(c1ccc(SSc2ccc(C(=O)N3CCCC3)cc2)cc1)N1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.73
ALDH1A1 P00352 7/20 0.73
MAPK1 P28482 1/20 0.59
MLYCD O95822 3/20 0.58
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TSHR P16473 1/20 0.56
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
NPC1 O15118 1/20 0.54

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
SCHEMBL10721733 0.87 HPGD (0.95) HPGDALDH1A1MAPK1MLYCDMEN1
SCHEMBL27479149 0.85 HPGD (1.00) HPGDALDH1A1MAPK1MLYCDMEN1
SCHEMBL7132525 0.85 HPGD (1.00) HPGDALDH1A1MAPK1MLYCDMEN1
SCHEMBL18920327 0.85 HPGD (0.69) HPGDALDH1A1MAPK1MLYCDMEN1
SCHEMBL18920321 0.83 PHGDH (0.67) HPGDALDH1A1MAPK1MLYCDKMT2A
SCHEMBL2646073 0.79 HPGD (0.79) HPGDALDH1A1MAPK1MLYCDMEN1
SCHEMBL70806 0.79 HPGD (0.79) HPGDALDH1A1MAPK1MLYCDMEN1
SCHEMBL2646078 0.79 HPGD (0.79) HPGDALDH1A1MAPK1MLYCDMEN1
SCHEMBL27102302 0.79 HPGD (0.65) HPGDALDH1A1MAPK1MLYCDMEN1
SCHEMBL8747189 0.78 HPGD (0.76) HPGDALDH1A1MAPK1MLYCDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093751-A1 Indolizineacetic Acids and Their Therapeutic Use as Ligands of the CRTH2 Receptor ARGENTA DISCOVERY LIMITED (GB) 2010-04-15 US disclosed
EP-2121686-A1 INDOLIZINEACETIC ACIDS AND THEIR THERAPEUTIC USE AS LIGANDS OF THE CRTH2 RECEPTOR Argenta Discovery Limited (GB) 2009-11-25 EP disclosed
WO-2008078069-A1 INDOLIZINEACETIC ACIDS AND THEIR THERAPEUTIC USE AS LIGANDS OF THE CRTH2 RECEPTOR ARGENTA DISCOVERY LIMITED (GB) 2008-07-03 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-20100093751-A1 Indolizineacetic Acids and Their Therapeutic Use as Ligands of the CRTH2 Receptor HRH2, HRH4, HRH1 HPGD 1077/4885ALDH1A1 1384/4885MAPK1 2948/4885

“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.