SCHEMBL30996003

SCHEMBL30996003

CC1(NC(C(=O)O)C(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
YAP1 P46937 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TACR1 P25103 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
STS P08842 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
NTSR1 P30989 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BACE1 P56817 1/20 0.42

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
SCHEMBL551650 0.83 MEN1 (0.48) TSHRALOX15ATMMEN1KMT2A
SCHEMBL18154470 0.81 MEN1 (0.55) TSHRALOX15ATMMEN1KMT2A
SCHEMBL16095715 0.81 L3MBTL1 (0.56) MEN1KMT2AMAPTYAP1L3MBTL1
SCHEMBL3104656 0.79 MEN1 (0.50) TSHRALOX15ATMMEN1KMT2A
SCHEMBL15797644 0.79 MEN1 (0.44) MEN1KMT2AYAP1TACR1OPRD1
SCHEMBL15796942 0.79 MEN1 (0.44) MEN1KMT2AYAP1TACR1OPRD1
SCHEMBL15878183 0.79 MEN1 (0.44) MEN1KMT2AYAP1TACR1OPRD1
SCHEMBL30121349 0.79 MEN1 (0.54) MEN1KMT2ATACR1OPRD1OPRK1
SCHEMBL1959327 0.78 MEN1 (0.44) TSHRALOX15ATMMEN1KMT2A
SCHEMBL22893592 0.78 TSHR (0.49) TSHRALOX15ATMMEN1KMT2A

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-12005046-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2024-06-11 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-12005046-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 TSHR 2939/4885ALOX15 902/4885ATM 4665/4885

“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.