SCHEMBL18299200

SCHEMBL18299200

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.36
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
FAAH O00519 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
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 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
SCHEMBL18299162 0.88 ATR (0.36) ATRSTK17BSTK17AKMT2APOLB
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
SCHEMBL18299265 0.72 RORC (0.38) JUNNFKB1NFKB2RELAP2RX3
SCHEMBL19282905 0.72 NFKB1 (0.43) ATRSTK17BSTK17APOLBJUN
SCHEMBL18299130 0.71 GABRA1 (0.34) ATRPOLBGABRPGABRDGABRA1
SCHEMBL28528395 0.70 GABRG2 (0.41) ATRPOLBP2RX3ALDH1A1TDP1
SCHEMBL28526753 0.70 ATR (0.38) ATRPOLBALDH1A1GABRPGABRD

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 9 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-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
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
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 4874/4885STK17B 2368/4885STK17A 1898/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 ATR 4874/4885STK17B 2368/4885STK17A 1898/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ATR 4874/4885STK17B 2368/4885STK17A 1898/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ATR 4874/4885STK17B 2368/4885STK17A 1898/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ATR 4874/4885STK17B 2368/4885STK17A 1898/4885

“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.