SCHEMBL21625533

SCHEMBL21625533

C=C(C)c1nc(C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.37
SIRT6 Q8N6T7 1/20 0.37
CYP3A4 P08684 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CES2 O00748 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
TBXA2R P21731 1/20 0.36
AADAC P22760 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL8743905 0.78 GPR35 (0.41) ARCYP3A4ALDH1A1TSHRLMNA
SCHEMBL31202669 0.78 GPR35 (0.41) ARCYP3A4ALDH1A1TSHRLMNA
SCHEMBL21617705 0.76 TXNRD1 (0.51) MAPK1HTTMAPTNPSR1TXNRD1
SCHEMBL432831 0.73 TDP1 (0.46) CYP3A4ALDH1A1TSHRALOX15MAPK1
SCHEMBL29607172 0.73 TDP1 (0.46) CYP3A4ALDH1A1TSHRALOX15MAPK1
SCHEMBL898028 0.73 ALDH1A1 (0.42) ARCYP3A4ALDH1A1TSHRLMNA
SCHEMBL29745233 0.73 ALDH1A1 (0.42) ARCYP3A4ALDH1A1TSHRLMNA
SCHEMBL29004835 0.73 ALDH1A1 (0.39) ARSIRT6CYP3A4ALDH1A1TSHR
SCHEMBL21492952 0.72 TKT (0.34)
SCHEMBL30744698 0.72 TKT (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-01-24 US disclosed
US-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-01-24 US disclosed
EP-3823726-A1 SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY F. Hoffmann-La Roche SA (CH) 2021-05-26 EP disclosed
CN-112437683-A Sulfonylurea compounds useful as inhibitors of interleukin-1 activity 豪夫迈·罗氏有限公司 2021-03-02 CN disclosed
WO-2020018970-A1 SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH, INC. (US) 2020-01-23 WO disclosed
WO-2020018970-A1 SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH, INC. (US) 2020-01-23 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 (1 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-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 AR 4753/4885SIRT6 605/4885CYP3A4 4174/4885

“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.