SCHEMBL23451333

SCHEMBL23451333

O=C(Cl)CN(C(=O)O)N(CC(=O)Cl)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.30
▸ EYA2 O00167 1/20 0.30
▸ APP P05067 1/20 0.30
▸ ACE P12821 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9357378 0.69 TSHR (0.35) TSHREYA2APPACETDP1
SCHEMBL21989789 0.69 — —
SCHEMBL23894061 0.69 — —
SCHEMBL5069896 0.67 TDP1 (0.41) TSHREYA2APPACETDP1
SCHEMBL14499199 0.65 TSHR (0.32) TSHREYA2APPACETDP1
SCHEMBL30065329 0.65 TDP1 (0.53) TSHREYA2APPACETDP1
SCHEMBL103364 0.65 — —
Water SCHEMBL1561012 0.62 — —
Hydrochloric Acid SCHEMBL112174 0.62 — —
SCHEMBL10349195 0.62 TDP1 (0.55) TSHREYA2APPACETDP1

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-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 — — 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-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B TSHR 2307/4885EYA2 4638/4885APP 4442/4885

“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.

Send feedback