SCHEMBL20176400

SCHEMBL20176400

CNC(=O)/C=C/CN(CCCOc1ccc(I)cn1)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.33
CA14 Q9ULX7 1/20 0.31
LSS P48449 2/20 0.30
SSTR4 P31391 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
SCHEMBL18295981 0.95 SSTR4 (0.31) ATMSSTR4
SCHEMBL20163529 0.87 LSS (0.34) ATMLSS
SCHEMBL20163533 0.87 LSS (0.34) ATMLSS
SCHEMBL20176320 0.86 SSTR4 (0.30) SSTR4
SCHEMBL20173486 0.84 SSTR4 (0.31) SSTR4
SCHEMBL20163447 0.84 LSS (0.36) LSSSSTR4
SCHEMBL20173473 0.83 GLA (0.34)
SCHEMBL20173488 0.83
SCHEMBL20173480 0.83 CHEK2 (0.32) SSTR4
SCHEMBL20173485 0.82 SSTR4 (0.31) SSTR4

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 ATM 1164/4885CA14 2780/4885LSS 1479/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 ATM 721/4885CA14 2942/4885LSS 1365/4885

“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.