SCHEMBL18307409

SCHEMBL18307409

CCOC(=O)c1cnc(Cl)c(C(O)c2cc3c(C)cc(C(F)(F)F)cc3n2S(=O)(=O)c2ccccc2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.37
NOD1 Q9Y239 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ATF1 P18846 1/20 0.35
NFKB1 P19838 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RORC P51449 4/20 0.35
PDE5A O76074 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL18299098 0.91 RORC (0.35) KMT2AUSP2ALDH1A1GAAHPGD
SCHEMBL28902610 0.90 RORC (0.37) KMT2AUSP2ALDH1A1GAAHPGD
SCHEMBL18298954 0.87 NOD2 (0.36) NOD2NOD1MEN1KMT2AAURKA
SCHEMBL18298859 0.87 RORC (0.38) NOD2NOD1MEN1KMT2AUSP2
SCHEMBL18308411 0.86 MEN1 (0.38) MEN1KMT2AATF1NFKB1ALDH1A1
SCHEMBL18299959 0.84 RORC (0.47) RORC
SCHEMBL18299182 0.80 RORC (0.40) MEN1KMT2AALDH1A1GAARORC
SCHEMBL18299881 0.80 MEN1 (0.39) MEN1KMT2AALDH1A1RORCKDM4E
SCHEMBL28484581 0.80 RORC (0.38) KMT2AUSP2ALDH1A1GAAHPGD
SCHEMBL28484185 0.80 RORC (0.41) KMT2ARORC

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 5 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
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 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 (4 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 NOD2 1662/4885NOD1 1701/4885MEN1 3616/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 NOD2 1662/4885NOD1 1701/4885MEN1 3616/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 NOD2 1662/4885NOD1 1701/4885MEN1 3616/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 NOD2 1662/4885NOD1 1701/4885MEN1 3616/4885

“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.