SCHEMBL25950818

SCHEMBL25950818

COc1c(C(C)(C)C)cc(Cl)cc1C(C)(C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TNFRSF1A P19438 2/20 0.38
PTGS1 P23219 1/20 0.36
ALOX15 P16050 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAP3K14 Q99558 1/20 0.34
DHFR P00374 1/20 0.34
PGR P06401 1/20 0.33
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ATP2A2 P16615 1/20 0.32

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
Phosphine SCHEMBL28191605 0.88 PTGS2 (0.44) PTGS2CA1CA2TNFRSF1APTGS1
SCHEMBL6673577 0.82 PTGS2 (0.41) PTGS2CA1CA2TNFRSF1APTGS1
SCHEMBL8996628 0.80 KMT2A (0.39) PTGS2CA1CA2PTGS1ALOX15
SCHEMBL12401805 0.78 LMNA (0.41) PTGS2ALOX15LMNATP53CYP3A4
SCHEMBL12401834 0.78 MAP3K14 (0.41) PTGS2CA1CA2TNFRSF1APTGS1
SCHEMBL5083897 0.77 ERBB2 (0.45) PTGS2CA1CA2TNFRSF1APTGS1
SCHEMBL25952803 0.77 MAPT (0.41) PTGS2CA1CA2TNFRSF1AALOX15
SCHEMBL18802772 0.75 CA1 (0.39) PTGS2CA1CA2TNFRSF1APTGS1
SCHEMBL25950827 0.74 ALDH1A1 (0.37) PTGS2CA1CA2TNFRSF1ALMNA
SCHEMBL5085671 0.73 PTGS2 (0.34) PTGS2CA1CA2TNFRSF1APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 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 (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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B PTGS2 196/4885CA1 4789/4885CA2 3057/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B PTGS2 196/4885CA1 4789/4885CA2 3057/4885

“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.