SCHEMBL1592446

SCHEMBL1592446

CC1=C(CCC(=O)OC(C)(C)C)C(=O)N(Nc2ccc(C(F)(F)F)c(Cl)n2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 17/20 0.51
JUN P05412 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
FOS P01100 1/20 0.33

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
SCHEMBL1592544 0.91 XPO1 (0.53) XPO1JUNNFKB1NFKB2RELA
SCHEMBL1592978 0.90 XPO1 (0.53) XPO1JUNNFKB1NFKB2RELA
SCHEMBL1592386 0.90 XPO1 (0.52) XPO1JUNNFKB1NFKB2RELA
SCHEMBL1592452 0.88 XPO1 (0.50) XPO1JUNNFKB1NFKB2RELA
SCHEMBL3632722 0.87 XPO1 (0.55) XPO1JUNNFKB1NFKB2RELA
SCHEMBL1592952 0.86 XPO1 (0.48) XPO1
SCHEMBL1592382 0.86 XPO1 (0.52) XPO1JUNNFKB1NFKB2RELA
SCHEMBL1592853 0.85 XPO1 (0.48) XPO1JUNNFKB1NFKB2RELA
SCHEMBL1592901 0.85 XPO1 (0.53) XPO1JUNNFKB1NFKB2RELA
SCHEMBL26170291 0.85 XPO1 (0.34) XPO1JUNNFKB1NFKB2RELA

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152692-B9 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO LTD (JP) 2020-03-25 EP claimed
EP-2152692-B1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO LTD (JP) 2016-06-15 EP claimed
US-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US claimed
US-8084454-B2 Cell cycle G2-checkpoint-abrogating 1-[(2-pyridyl)amino]-azoline-2,5-dione derivatives with at least one halogen group, to selectively sensitize cancer cells to DNA damaging reagents without additional anticarcinogenic treatment; cytolytic agents, antiproliferatives, apoptosis CANBAS CO., LTD. (JP) 2011-12-27 US claimed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 US claimed
EP-2152692-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY Canbas Co. Ltd. (JP) 2010-02-17 EP claimed
WO-2009031040-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2009-03-12 WO claimed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 US claimed
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
EP-4125872-A1 SUBSTITUTED AZOLE DIONE COMPOUNDS WITH ANTIVIRAL ACTIVITY Stemline Therapeutics Inc. (US) 2023-02-08 EP disclosed
EP-4074704-A1 QUINOLINE COMPOUNDS WITH ANTI-CANCER ACTIVITY CanBas Co., Ltd. (JP) 2022-10-19 EP disclosed
EP-3567035-B1 N-SUBSTITUTED 2,5-DIOXO-AZOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CANBAS CO LTD (JP) 2022-06-01 EP disclosed
WO-2021194954-A1 SUBSTITUTED AZOLE DIONE COMPOUNDS WITH ANTIVIRAL ACTIVITY STEMLINE THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 US disclosed
EP-2152692-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY Canbas Co. Ltd. (JP) 2010-02-17 EP disclosed
WO-2009031040-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2009-03-12 WO disclosed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 US disclosed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 US disclosed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 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 (3 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-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CDKN1A, CDC25C, DDB1 XPO1 280/4885JUN 1788/4885NFKB1 1145/4885
US-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 XPO1 280/4885JUN 1788/4885NFKB1 1145/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 XPO1 302/4885JUN 2685/4885NFKB1 495/4885

“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.