SCHEMBL9893153

SCHEMBL9893153

C=C1CC[C@@H](C(=O)O)N1c1ccc(Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
ALDH1A1 P00352 2/20 0.44
DAO P14920 1/20 0.38
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.32
FFAR2 O15552 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRNA7 P36544 1/20 0.32
POLB P06746 2/20 0.32
F2 P00734 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C1 Q04828 1/20 0.30
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
CASP6 P55212 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9110142 0.84 MMP8 (0.43) MMP8MMP12MMP13ALDH1A1DAO
SCHEMBL9107566 0.84 MMP8 (0.43) MMP8MMP12MMP13ALDH1A1DAO
SCHEMBL9893152 0.65 CNR2 (0.42) ALDH1A1FFAR2AKR1C3KMT2A
SCHEMBL16480417 0.64 L3MBTL1 (0.37) L3MBTL1CYP2D6CHRNA7
SCHEMBL15832924 0.63 MMP8 (0.87) MMP8MMP12MMP13ALDH1A1TSHR
SCHEMBL9893008 0.61 NOTUM (0.35) ALDH1A1TSHRL3MBTL1CYP2D6CHRNA7
SCHEMBL6290811 0.61 L3MBTL1 (0.57) MMP8MMP12MMP13ALDH1A1DAO
SCHEMBL6290809 0.61 L3MBTL1 (0.57) MMP8MMP12MMP13ALDH1A1DAO
SCHEMBL2572997 0.61 CNR2 (0.52) POLBAKR1C3
SCHEMBL2572998 0.61 CNR2 (0.52) POLBAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MMP8 1429/4885MMP12 1482/4885MMP13 3008/4885

“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.