SCHEMBL17317643

SCHEMBL17317643

CCOC(=O)[C@H]1CC[C@H](CC(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.47
ALDH1A1 P00352 4/20 0.45
PPM1B O75688 1/20 0.45
PTPN1 P18031 1/20 0.45
PPP1CC P36873 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL19097291 1.00 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL1026025 1.00 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL28464765 0.85 KMT2A (0.54) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL4221 0.84
SCHEMBL237380 0.84 MAPT (0.60) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL2375356 0.84 MAPT (0.60) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL8891623 0.84 MAPT (0.60) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL21805821 0.84 KMT2A (0.52) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL17891900 0.83 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL17891901 0.83 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1PPM1B

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 MEN1 1850/4885KMT2A 1485/4885MAPT 1228/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 MEN1 1850/4885KMT2A 1483/4885MAPT 1227/4885

“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.