SCHEMBL20163529

SCHEMBL20163529

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.34
ATM Q13315 10/20 0.33
PAICS P22234 2/20 0.32
KDM4E B2RXH2 1/20 0.31
CHEK2 O96017 1/20 0.31
HRH1 P35367 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
SCHEMBL20163533 1.00 LSS (0.34) LSSATMPAICSKDM4ECHEK2
SCHEMBL20163467 0.95 LSS (0.33) LSSATMPAICS
SCHEMBL20163473 0.95 LSS (0.33) LSSATMPAICS
SCHEMBL20176400 0.87 ATM (0.33) LSSATM
SCHEMBL20163423 0.85 PAICS (0.32) LSSATMPAICS
SCHEMBL20163428 0.85 PAICS (0.32) LSSATMPAICS
SCHEMBL20163494 0.82 HPGD (0.36) LSS
SCHEMBL18295981 0.82 SSTR4 (0.31) ATM
SCHEMBL20163491 0.82 HPGD (0.36) LSS
SCHEMBL20163361 0.81 RAB9A (0.30)

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 4 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
EP-3544974-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER Eisai R&D Management Co., Ltd. (JP) 2019-10-02 EP disclosed
WO-2018098305-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-31 WO 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 1479/4885ATM 1164/4885PAICS 1257/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 LSS 1365/4885ATM 721/4885PAICS 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.