SCHEMBL22844887

SCHEMBL22844887

SCC1CCCC[C@H]1CS

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4188934 1.00 TSHR (0.35) TSHRCA1CA2CA4ALDH1A1
SCHEMBL24923170 0.85 TDP1 (0.41) TSHRCA1CA2CA4
SCHEMBL14465957 0.85 CA1 (0.36) CA1CA2CA4
SCHEMBL5436274 0.78 — —
SCHEMBL23082583 0.78 — —
SCHEMBL1192834 0.78 — —
SCHEMBL23082584 0.78 — —
SCHEMBL25133152 0.78 — —
SCHEMBL4688269 0.78 — —
SCHEMBL14574289 0.78 — —

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-20200405874-A1 METHODS OF PREPARING CELL-BINDING AGENT-DRUG CONJUGATES IMMUNOGEN, INC. 2020-12-31 — — 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-20200405874-A1 METHODS OF PREPARING CELL-BINDING AGENT-DRUG CONJUGATES EPCAM, CD2BP2, XPA TSHR 2222/4885CA1 293/4885CA2 1600/4885

“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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