SCHEMBL1995517

SCHEMBL1995517

CC(C)c1ccc(OC(C(=O)O)C(=O)c2cnn(-c3ccccc3Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 4/20 0.41
EGLN1 Q9GZT9 5/20 0.41
EDNRB P24530 1/20 0.37
PTGS2 P35354 1/20 0.36
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGDS O60760 1/20 0.34
ALKBH2 Q6NS38 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GCGR P47871 1/20 0.34
BCL2 P10415 1/20 0.34

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
SCHEMBL17321489 0.78 EGLN1 (0.43) ALKBH1EGLN1PTGS2RAB9AHPGD
SCHEMBL27665788 0.78 HPGDS (0.51) ALKBH1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL27684819 0.73 HPGDS (0.51) ALKBH1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL27685236 0.73 LDHA (0.51) ALKBH1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL2861126 0.73 ALKBH2 (0.63) ALKBH1EGLN1HPGDSALKBH2
SCHEMBL17324825 0.71 EGLN1 (0.46) ALKBH1EGLN1RAB9ASMN1; SMN2HPGD
SCHEMBL17066201 0.71 ALDH1A1 (0.41) EGLN1PTGS2SMN1; SMN2PKMALDH1A1
SCHEMBL5319902 0.69 LDHA (0.43) ALKBH1EGLN1
SCHEMBL19997283 0.69 EGLN1 (0.44) ALKBH1EGLN1RAB9ASMN1; SMN2HPGD
SCHEMBL15930139 0.69 NOTUM (0.41) ALKBH1EGLN1RAB9AHPGDCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US 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-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 ALKBH1 3593/4885EGLN1 718/4885EDNRB 1072/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 ALKBH1 3577/4885EGLN1 440/4885EDNRB 888/4885

“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.