SCHEMBL24397870

SCHEMBL24397870

C=C(CC(=O)OC1(c2ccc(OC(F)(F)F)cc2)CCC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 10/20 0.39
▸ SLC6A3 Q01959 7/20 0.39
▸ PDE2A O00408 4/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL24393978 0.88 PDE2A (0.37) SLC6A4SLC6A3PDE2AEPHX2SLC6A2
SCHEMBL24394104 0.85 THRB (0.37) SLC6A4SLC6A3PDE2AHDAC3HDAC1
SCHEMBL24397809 0.83 RORC (0.34) —
SCHEMBL24397915 0.83 OPRM1 (0.33) SLC6A4SLC6A3
SCHEMBL24397872 0.83 SLC6A3 (0.39) SLC6A4SLC6A3PDE2AHDAC3HDAC1
SCHEMBL24393967 0.82 PDE2A (0.37) PDE2AEPHX2ALDH1A1
SCHEMBL24397824 0.82 RORC (0.37) PDE2A
SCHEMBL24398059 0.82 SLC6A3 (0.41) SLC6A4SLC6A3PDE2AEPHX2SLC6A2
SCHEMBL24397743 0.81 DRD2 (0.39) ALDH1A1
SCHEMBL24398057 0.81 MAPK1 (0.36) HDAC3HDAC1HDAC2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399287-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 — — US disclosed
WO-2022090724-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 — — 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 (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-20230399287-A1 NOVEL COMPOUNDS CNKSR1, RORC, HLA-DRB1 SLC6A4 4875/4885SLC6A3 4858/4885PDE2A 739/4885

“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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