SCHEMBL18299162

SCHEMBL18299162

CC(C)(C)OC(=O)c1cnc(Cl)c(CO)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.36
PDXK O00764 1/20 0.35
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MEN1 O00255 1/20 0.32
P2RX3 P56373 1/20 0.32
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRA4 P48169 2/20 0.31

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
SCHEMBL18299200 0.88 ATR (0.36) ATRKMT2APOLBJUNNFKB1
SCHEMBL18299780 0.81 ATR (0.35) ATR
SCHEMBL18299722 0.78 ATR (0.37) ATRKMT2APOLBJUNNFKB1
SCHEMBL18299891 0.78 ATR (0.37) ATRKMT2APOLBJUNNFKB1
SCHEMBL18299267 0.77 ATR (0.39) ATRKMT2APOLBJUNNFKB1
SCHEMBL28204872 0.76 PDXK (0.42) PDXKKMT2AMEN1ALDH1A1GABRA1
SCHEMBL18298976 0.76 STAT3 (0.34) ATRKMT2AADRA1AADRA1B
SCHEMBL18307335 0.75 PDXK (0.37) PDXK
SCHEMBL19282905 0.72 NFKB1 (0.43) ATRPOLBJUNNFKB1NFKB2
SCHEMBL18299130 0.71 GABRA1 (0.34) ATRPOLBGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 CN disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 US disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 US disclosed
US-10106501-B2 Nuclear receptor modulators ABBVIE INC. (US) 2018-10-23 US disclosed
EP-3307734-A1 NUCLEAR RECEPTOR MODULATORS AbbVie Inc. (US) 2018-04-18 EP disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 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-20160362370-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ATR 4874/4885PDXK 3168/4885KMT2A 2318/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 ATR 4874/4885PDXK 3168/4885KMT2A 2318/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ATR 4874/4885PDXK 3168/4885KMT2A 2318/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ATR 4874/4885PDXK 3168/4885KMT2A 2318/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ATR 4874/4885PDXK 3168/4885KMT2A 2318/4885

“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.