SCHEMBL9108626

SCHEMBL9108626

COC(=O)c1ccc(N2C(=O)CCC2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HPGD P15428 1/20 0.45
PHGDH O43175 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
CYP2C19 P33261 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9108623 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDPHGDHTDP1
SCHEMBL9103598 0.84 PHGDH (0.47) SMN1; SMN2HPGDPHGDHRAB9ACYP2C19
SCHEMBL9103589 0.84 PHGDH (0.47) SMN1; SMN2HPGDPHGDHRAB9ACYP2C19
SCHEMBL9108138 0.84 GAA (0.51) ALDH1A1HPGDMAPTRAB9ACYP2C19
SCHEMBL9108147 0.84 GAA (0.51) ALDH1A1HPGDMAPTRAB9ACYP2C19
SCHEMBL9107624 0.83 TDP1 (0.59) ALDH1A1TDP1CYP2C19KMT2ATSHR
SCHEMBL9107636 0.83 TDP1 (0.59) ALDH1A1TDP1CYP2C19KMT2ATSHR
SCHEMBL9108668 0.81 KMT2A (0.51) ALDH1A1PHGDHTDP1RAB9ACYP2C19
SCHEMBL9108663 0.81 KMT2A (0.51) ALDH1A1PHGDHTDP1RAB9ACYP2C19
SCHEMBL2573729 0.80 PHGDH (0.45) ALDH1A1PHGDHTDP1CYP2C19KMT2A

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
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 (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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 3279/4885SMN1; SMN2 4659/4885HPGD 601/4885

“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.