SCHEMBL22901902

SCHEMBL22901902

CC(C)NC(=O)Cc1cnc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
NFKB1 P19838 2/20 0.56
CYP3A4 P08684 2/20 0.56
GABRA1 P14867 1/20 0.56
TSHR P16473 1/20 0.56
GABRR1 P24046 1/20 0.56
GABRR2 P28476 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
PMP22 Q01453 1/20 0.54
S1PR1 P21453 1/20 0.53
HRH4 Q9H3N8 6/20 0.49
HRH2 P25021 1/20 0.48
QPCT Q16769 1/20 0.47
QPCTL Q9NXS2 1/20 0.47
HRH3 Q9Y5N1 7/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL3510791 0.86 S1PR1 (0.56) ALDH1A1NFKB1CYP3A4GABRA1TSHR
SCHEMBL14728368 0.83 S1PR1 (0.54) ALDH1A1NFKB1CYP3A4GABRA1TSHR
SCHEMBL6890619 0.83 S1PR1 (0.54) ALDH1A1NFKB1CYP3A4GABRA1TSHR
SCHEMBL29902874 0.81 ALDH1A1 (0.61) ALDH1A1NFKB1CYP3A4GABRA1TSHR
SCHEMBL888666 0.77 ALDH1A1 (0.61) ALDH1A1NFKB1CYP3A4GABRA1TSHR
SCHEMBL23391101 0.77 ALDH1A1 (0.53) ALDH1A1NFKB1CYP3A4GABRA1TSHR
SCHEMBL28544219 0.77 ALDH1A1 (0.53) ALDH1A1NFKB1CYP3A4GABRA1TSHR
SCHEMBL31741254 0.75 ALDH1A1 (0.54) ALDH1A1NFKB1CYP3A4GABRA1TSHR
Methyl Alcohol SCHEMBL11465646 0.74 ALDH1A1 (0.68) ALDH1A1NFKB1CYP3A4GABRA1TSHR
SCHEMBL890227 0.74

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-11213592-B2 Antibody-sting agonist conjugates and their use in immunotherapy IMMUNESENSOR THERAPEUTICS, INC. (US) 2022-01-04 US disclosed
US-20210290774-A1 ANTIBODY-STING AGONIST CONJUGATES AND THEIR USE IN IMMUNOTHERAPY IMMUNESENSOR THERAPEUTICS, INC. (US) 2021-09-23 US disclosed
US-11033635-B2 Antibody-STING agonist conjugates and their use in immunotherapy IMMUNESENSOR THERAPEUTICS, INC. (US) 2021-06-15 US disclosed
US-20210015941-A1 ANTIBODY-STING AGONIST CONJUGATES AND THEIR USE IN IMMUNOTHERAPY IMMUNESENSOR THERAPEUTICS, INC. (US) 2021-01-21 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 (4 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-11213592-B2 Antibody-sting agonist conjugates and their use in immunotherapy STING1, CGAS, MAVS ALDH1A1 4589/4885NFKB1 1301/4885CYP3A4 4674/4885
US-20210290774-A1 ANTIBODY-STING AGONIST CONJUGATES AND THEIR USE IN IMMUNOTHERAPY STING1, CGAS, MAVS ALDH1A1 4589/4885NFKB1 1301/4885CYP3A4 4674/4885
US-11033635-B2 Antibody-STING agonist conjugates and their use in immunotherapy STING1, CGAS, MAVS ALDH1A1 4589/4885NFKB1 1301/4885CYP3A4 4674/4885
US-20210015941-A1 ANTIBODY-STING AGONIST CONJUGATES AND THEIR USE IN IMMUNOTHERAPY STING1, CGAS, MAVS ALDH1A1 4589/4885NFKB1 1301/4885CYP3A4 4674/4885

“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.