SCHEMBL25967425

SCHEMBL25967425

CC(C)C(=O)NCc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.62
▸ PARP1 P09874 4/20 0.60
▸ KMT2A Q03164 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ MAOA P21397 1/20 0.51
▸ MMP12 P39900 1/20 0.50
▸ NR3C2 P08235 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ERCC1 P07992 1/20 0.49
▸ ERCC4 Q92889 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ MMP8 P22894 3/20 0.48
▸ MMP13 P45452 3/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL25970991 0.90 PARP1 (0.60) TSHRPARP1KMT2AALDH1A1MAOA
SCHEMBL14073116 0.82 PARP1 (0.62) TSHRPARP1KMT2AALDH1A1MAOA
SCHEMBL14072985 0.81 TSHR (0.85) TSHRPARP1ALDH1A1MAOAMAPT
SCHEMBL14073166 0.81 PARP1 (0.57) TSHRPARP1KMT2AALDH1A1MAOA
SCHEMBL8191474 0.80 PARP1 (0.71) TSHRPARP1ALDH1A1MMP12NR3C2
SCHEMBL7276275 0.80 PARP1 (0.56) TSHRPARP1KMT2AALDH1A1MAOA
SCHEMBL8196052 0.80 TSHR (0.58) TSHRPARP1KMT2AALDH1A1MAOA
SCHEMBL14073044 0.79 TSHR (0.73) TSHRPARP1KMT2AALDH1A1HPGD
SCHEMBL4129690 0.79 TRPV1 (0.50) —
SCHEMBL14073033 0.79 TSHR (0.76) TSHRPARP1ALDH1A1MAOAMAPT

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-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 — — 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-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TSHR 4477/4885PARP1 980/4885KMT2A 3713/4885

“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.

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