SCHEMBL16742015

SCHEMBL16742015

C[C@@H]1C(=O)NC(=O)N[C@@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
IDUA P35475 1/20 0.39
RGS12 O14924 1/20 0.37
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
USP2 O75604 1/20 0.31
CYP2C19 P33261 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL11044081 1.00 TSHR (0.46) TSHRIDUARGS12HSD17B10GAA
SCHEMBL7271895 0.82
SCHEMBL7271901 0.82
SCHEMBL19559646 0.82 TSHR (0.45) TSHRRGS12HSD17B10HTTALDH1A1
SCHEMBL4746830 0.77 TSHR (0.48) TSHRIDUARGS12HSD17B10GAA
SCHEMBL8148062 0.75 IDUA (0.39) TSHRIDUARGS12GAACYP2C19
SCHEMBL8148061 0.75 IDUA (0.39) TSHRIDUARGS12GAACYP2C19
SCHEMBL10350217 0.71 IDUA (0.46) TSHRIDUAALDH1A1MEN1KMT2A
SCHEMBL11702635 0.71 IDUA (0.46) TSHRIDUAALDH1A1MEN1KMT2A
SCHEMBL249514 0.71 TSHR (0.52) TSHRRGS12HSD17B10HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
EP-3071199-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES Genzyme Corporation (US) 2016-09-28 EP disclosed
WO-2015077535-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION (US) 2015-05-28 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 (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-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH TSHR 4829/4885IDUA 1214/4885RGS12 3836/4885

“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.