SCHEMBL21603448

SCHEMBL21603448

Cc1cc2c(c(Cl)c1N)OCCO2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 2/20 0.33
GRIA2 P42262 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 4/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 3/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 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
SCHEMBL21603522 0.81 GRIA2 (0.37) GRIA2ALDH1A1TSHRTDP1TP53
SCHEMBL21603395 0.79 HPGD (0.36) LARS1GRIA2ALDH1A1TSHRTDP1
SCHEMBL19225447 0.74 MAPT (0.33) GRIA2ALDH1A1TSHRMAPTGAA
SCHEMBL17659028 0.74 MEN1 (0.35) LARS1GRIA2ALDH1A1TSHRTDP1
SCHEMBL20729436 0.71 ALDH1A1 (0.39) ALDH1A1TSHRMAPTGAAKDM4E
SCHEMBL13534197 0.71 MAP3K14 (0.42) LARS1ALDH1A1TSHRGAAKDM4E
SCHEMBL8407148 0.71 KDM4E (0.41) ALDH1A1TSHRTDP1MAPTGAA
SCHEMBL6706298 0.70 AHR (0.48) LARS1CYP3A4HDAC3HDAC4HDAC1
SCHEMBL9910943 0.69 HTR4 (0.39) ALDH1A1CYP3A4LMNANPSR1
SCHEMBL25166256 0.68 MAPT (0.37) LARS1ALDH1A1TDP1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277003-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-09 US disclosed
US-20210130352-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-05-06 US disclosed
WO-2019243535-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243533-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 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-20210277003-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN LARS1 1803/4885GRIA2 1012/4885ALDH1A1 3839/4885
US-20210130352-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN LARS1 1803/4885GRIA2 1012/4885ALDH1A1 3839/4885

“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.