SCHEMBL21365951

SCHEMBL21365951

CC(C)(C)OC(=O)N1CCCC(c2nc(O)cc(-c3cccs3)n2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.44
GBA1 P04062 1/20 0.43
TRPV3 Q8NET8 1/20 0.42
HPGDS O60760 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 2/20 0.41
USP30 Q70CQ3 3/20 0.40
GRM5 P41594 1/20 0.40
PRMT5 O14744 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 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
SCHEMBL22122771 0.84 HPGDS (0.46) TRPV3HPGDSALDH1A1MEN1KMT2A
SCHEMBL4139816 0.76 GRM5 (0.69) ALDH1A1GAATSHRMAPK1MEN1
SCHEMBL4139808 0.76 GRM5 (0.69) ALDH1A1GAATSHRMAPK1MEN1
SCHEMBL216323 0.76 HPGDS (0.48) GPR119HPGDSALDH1A1GAAMEN1
SCHEMBL14050857 0.74 CHEK1 (0.59) GPR119GBA1TRPV3HPGDSUSP30
SCHEMBL9962296 0.73 TRPV3 (0.53) TRPV3HPGDSUSP30PRMT5SMARCA2
SCHEMBL14050991 0.73 CHEK1 (0.47) GPR119GBA1TRPV3HPGDSALDH1A1
SCHEMBL27188465 0.73 KDM4E (0.43) GPR119SMARCA2SMARCA4PBRM1
SCHEMBL17507030 0.73 KDM4E (0.40) GPR119TRPV3ALDH1A1MEN1KMT2A
SCHEMBL6629639 0.73 HTT (0.52) GPR119HPGDSALDH1A1GAATSHR

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-11691967-B2 Antibiotics effective for gram-negative pathogens THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-07-04 US disclosed
US-11691967-B2 Antibiotics effective for gram-negative pathogens THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-07-04 US disclosed
US-20210017165-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-01-21 US disclosed
WO-2019177975-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-09-19 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-20210017165-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS PGLS, MGAM, GMDS GPR119 4175/4885GBA1 456/4885TRPV3 4477/4885
US-11691967-B2 Antibiotics effective for gram-negative pathogens PGLS, MGAM, GMDS GPR119 4175/4885GBA1 456/4885TRPV3 4477/4885

“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.