SCHEMBL9108218

SCHEMBL9108218

CN(c1ccc(N2C(=O)CCC2C(=O)O)cc1)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
CYP3A4 P08684 1/20 0.40
CNR2 P34972 3/20 0.40
PHGDH O43175 1/20 0.40
ALDH1A1 P00352 4/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ADRB1 P08588 1/20 0.38
RAB9A P51151 2/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9108207 1.00 LMNA (0.40) LMNACYP3A4CNR2PHGDHALDH1A1
SCHEMBL9103390 0.82 PHGDH (0.41) CNR2PHGDHALDH1A1RAB9APTGER3
SCHEMBL9103377 0.82 PHGDH (0.41) CNR2PHGDHALDH1A1RAB9APTGER3
SCHEMBL16480400 0.81 LMNA (0.38) LMNACYP3A4ALDH1A1PKMTP53
SCHEMBL16530603 0.81 CNR2 (0.55) CNR2PHGDHPTGER3PTGER2KMT2A
SCHEMBL9104782 0.81 CNR2 (0.55) CNR2PHGDHPTGER3PTGER2KMT2A
SCHEMBL9891745 0.78 LMNA (0.36) LMNACYP3A4CNR2ALDH1A1PKM
SCHEMBL9893019 0.78 PTGER2 (0.37) LMNACYP3A4TP53HPGDADRB1
SCHEMBL9108663 0.78 KMT2A (0.51) CYP3A4CNR2PHGDHALDH1A1RAB9A
SCHEMBL9108668 0.78 KMT2A (0.51) CYP3A4CNR2PHGDHALDH1A1RAB9A

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 LMNA 4696/4885CYP3A4 1707/4885CNR2 1/4885

“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.