SCHEMBL1675902

SCHEMBL1675902

CCOC(=O)C(F)(F)CN(c1nc(Cl)ncc1[N+](=O)[O-])C(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
PIN1 Q13526 11/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 2/20 0.34
GPR55 Q9Y2T6 1/20 0.34
ATF1 P18846 1/20 0.33
NFKB1 P19838 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL24603088 0.86 PIN1 (0.37) PIN1MAPTHTT
SCHEMBL30965570 0.86 PIN1 (0.36) THRBPIN1MAPTLMNANPSR1
SCHEMBL29259965 0.82 PIN1 (0.34) THRBPIN1MAPTLMNANPSR1
SCHEMBL30938311 0.82 PIN1 (0.34) THRBPIN1MAPTLMNANPSR1
SCHEMBL3621836 0.82 PIN1 (0.37) PIN1MAPTLMNAALDH1A1MEN1
SCHEMBL2302176 0.82 MEN1 (0.34) THRBPIN1MAPTLMNANPSR1
SCHEMBL1675935 0.81 MEN1 (0.35) THRBPIN1MAPTLMNANPSR1
SCHEMBL12276616 0.81 MAPT (0.41) THRBPIN1MAPTLMNANPSR1
SCHEMBL1560434 0.80 KMT2A (0.37) THRBPIN1MAPTNPSR1ALDH1A1
SCHEMBL2300832 0.79 PIN1 (0.46) THRBPIN1MAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833208-B2 PLK1 selective degradation inducing compound UPPTHERA, INC. (KR) 2023-12-05 US disclosed
US-20230372498-A1 PLK1 SELECTIVE DEGRADATION INDUCING COMPOUND UPPTHERA (KR) 2023-11-23 US disclosed
EP-2564850-B1 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-8318727-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8026234-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-27 US disclosed
US-20110201818-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-18 US disclosed
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-07 US disclosed
CN-101917995-A POLO-like kinase inhibitors TAKEDA PHARMACEUTICAL 2010-12-15 CN disclosed
EP-2205241-A1 POLO-LIKE KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-07-14 EP disclosed
US-20090281092-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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 (5 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-20230372498-A1 PLK1 SELECTIVE DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 THRB 3906/4885PIN1 548/4885MAPT 836/4885
US-20090281092-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK THRB 2727/4885PIN1 2805/4885MAPT 1318/4885
US-20110201818-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK THRB 2727/4885PIN1 2805/4885MAPT 1318/4885
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK THRB 2727/4885PIN1 2805/4885MAPT 1318/4885
US-11833208-B2 PLK1 selective degradation inducing compound PLK1, BUB1B, BUB1 THRB 3906/4885PIN1 548/4885MAPT 836/4885

“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.