SCHEMBL17317455

SCHEMBL17317455

COC(=O)C1CC(CC(=O)O)C1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.48
GRM2 Q14416 2/20 0.35
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
TSHR P16473 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SLC6A12 P48065 3/20 0.31
SLC6A11 P48066 3/20 0.31
SLC6A13 Q9NSD5 3/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31

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
SCHEMBL13851453 0.81 GRM2 (0.39) GRM2GRM5GRM1CYP1A2CYP2C9
SCHEMBL6152852 0.81 GRM2 (0.39) GRM2GRM5GRM1CYP1A2CYP2C9
SCHEMBL611079 0.79 GRM2 (0.38) GRM2GRM5GRM1CYP1A2CYP2C9
SCHEMBL6560389 0.79 GRM2 (0.38) GRM2GRM5GRM1CYP1A2CYP2C9
SCHEMBL4905385 0.79 GRM2 (0.38) GRM2GRM5GRM1CYP1A2CYP2C9
SCHEMBL4905394 0.79 GRM2 (0.38) GRM2GRM5GRM1CYP1A2CYP2C9
SCHEMBL16152426 0.79 GRM2 (0.38) GRM2GRM5GRM1CYP1A2CYP2C9
SCHEMBL18723739 0.79 GRM2 (0.38) GRM2GRM5GRM1CYP1A2CYP2C9
SCHEMBL8217459 0.79 ATM (0.43) ATMTSHRMEN1KMT2A
SCHEMBL8216544 0.79 ATM (0.43) ATMTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144732-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-12-04 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
EP-3152206-A1 ATX MODULATING AGENTS Biogen MA Inc. (US) 2017-04-12 EP disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 WO disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 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 (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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 ATM 3124/4885GRM2 351/4885GRM5 921/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 ATM 3125/4885GRM2 350/4885GRM5 918/4885

“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.