SCHEMBL17873447

SCHEMBL17873447

O=C(CBr)c1ccc(OC2CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.58
PARP10 Q53GL7 1/20 0.53
PTPN1 P18031 6/20 0.50
EPHX2 P34913 3/20 0.46
MAP4K4 O95819 1/20 0.46
SENP8 Q96LD8 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CASP3 P42574 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3451516 0.92 GSK3B (0.54) GSK3BPARP10PTPN1EPHX2MAP4K4
SCHEMBL3454228 0.92 GSK3B (0.54) GSK3BPARP10PTPN1EPHX2MAP4K4
SCHEMBL3451514 0.92 GSK3B (0.54) GSK3BPARP10PTPN1EPHX2MAP4K4
SCHEMBL25180868 0.81 PARP10 (0.51) PARP10EPHX2MAP4K4SENP8SENP6
SCHEMBL3969375 0.80 OPRK1 (0.50) GSK3BPTPN1EPHX2
SCHEMBL1977190 0.77 ALDH1A1 (0.70) PARP10EPHX2MAP4K4SENP8SENP6
SCHEMBL204218 0.77 GSK3B (0.70) GSK3BPARP10PTPN1ALDH1A1
SCHEMBL25545459 0.76 PDE4D (0.49) PARP10EPHX2ALDH1A1LMNA
SCHEMBL5722254 0.76 MEN1 (0.50) GSK3BPTPN1LMNA
SCHEMBL4285489 0.76 PARP10 (0.58) PARP10EPHX2MAP4K4SENP8SENP6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE USA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-03-07 US disclosed
EP-3237385-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2017-11-01 EP disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 WO disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 WO 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-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER IDH1, IDH3B, IDH3A GSK3B 715/4885PARP10 1309/4885PTPN1 933/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A GSK3B 715/4885PARP10 1309/4885PTPN1 933/4885

“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.