SCHEMBL20163522

SCHEMBL20163522

NC(=O)C=CCN(CCOc1ccc(I)cn1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.32
CHEK2 O96017 1/20 0.32
PAICS P22234 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
SCHEMBL20163519 1.00 LSS (0.32) LSSCHEK2PAICS
SCHEMBL18260835 0.86 LSS (0.35) LSSCHEK2PAICS
SCHEMBL18260833 0.86 LSS (0.35) LSSCHEK2PAICS
SCHEMBL20163473 0.85 LSS (0.33) LSSPAICS
SCHEMBL20163467 0.85 LSS (0.33) LSSPAICS
SCHEMBL20173480 0.85 CHEK2 (0.32) CHEK2
SCHEMBL20163387 0.83 PDE1A (0.41)
SCHEMBL20163383 0.83 PDE1A (0.41)
SCHEMBL20163403 0.83 GPR183 (0.32)
SCHEMBL20163586 0.83 GPR183 (0.34)

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-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-08-13 US disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 LSS 1479/4885CHEK2 863/4885PAICS 1257/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 LSS 1365/4885CHEK2 657/4885PAICS 1191/4885

“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.