SCHEMBL18608282

SCHEMBL18608282

BC(B)(O)c1c(F)cc(O)cc1S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.33
AR P10275 1/20 0.31
CCR2 P41597 1/20 0.31
KIF11 P52732 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
ADRB2 P07550 1/20 0.30

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
SCHEMBL19418006 0.72 GABRA1 (0.37) ARESR1ESR2
SCHEMBL22396850 0.71 ENPP2 (0.45) ENPP2ARCCR2
SCHEMBL1128576 0.71 ENPP2 (0.45) ENPP2ARCCR2ESR1ESR2
SCHEMBL16904912 0.69 PTGS2 (0.33) ADRB2
SCHEMBL16896662 0.69 TAAR1 (0.41) ENPP2ADRB2
SCHEMBL15109955 0.68 CASP1 (0.41) ENPP2ESR1ESR2
SCHEMBL1472949 0.67 GABRA1 (0.46) ARESR1ESR2
SCHEMBL18589788 0.67 TAAR1 (0.39) ADRB2
SCHEMBL16904910 0.66 SMN1; SMN2 (0.33) ADRB2
SCHEMBL16896814 0.66 CYP3A4 (0.44) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669296-B2 LXR agonists and uses thereof RGENIX, INC. (US) 2020-06-02 US disclosed
US-20170066791-A1 LXR AGONISTS AND USES THEREOF INSPIRNA, INC. 2017-03-09 US 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 (2 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-10669296-B2 LXR agonists and uses thereof NR1H3, NR1H2, NR1H4 ENPP2 190/4885AR 206/4885CCR2 450/4885
US-20170066791-A1 LXR AGONISTS AND USES THEREOF NR1H3, NR1H2, NR1H4 ENPP2 190/4885AR 206/4885CCR2 450/4885

“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.