SCHEMBL22489801

SCHEMBL22489801

O=S(=O)(NCc1cccc(-c2ccncc2)c1)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.51
CYP19A1 P11511 2/20 0.48
CNR1 P21554 1/20 0.47
NSD2 O96028 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
KAT6A Q92794 2/20 0.44
PRKCI P41743 1/20 0.44
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
ROCK2 O75116 1/20 0.42
GRK2 P25098 1/20 0.42
NAMPT P43490 1/20 0.42
NR3C2 P08235 1/20 0.41
AKT1 P31749 1/20 0.41
PIK3CA P42336 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL22489884 0.85 PRMT6 (0.51) PRMT6CYP19A1NSD2SMN1; SMN2LMNA
SCHEMBL22489446 0.85 PRMT6 (0.55) PRMT6CYP19A1NSD2SMN1; SMN2LMNA
SCHEMBL22489905 0.84 PRMT6 (0.48) PRMT6CYP19A1CNR1NSD2SMN1; SMN2
SCHEMBL22489911 0.83 CYP19A1 (0.73) PRMT6CYP19A1LMNAKMT2A
SCHEMBL22489891 0.80 NAMPT (0.54) PRMT6CYP19A1CNR1SMN1; SMN2LMNA
SCHEMBL44570 0.76 CNR1 (0.40) CYP19A1CNR1LMNAKAT6AKMT2A
SCHEMBL1848502 0.76 SMN1; SMN2 (0.43) CYP19A1CNR1SMN1; SMN2LMNAKMT2A
SCHEMBL22489742 0.75 CYP19A1 (0.53) PRMT6CYP19A1SMN1; SMN2LMNAPRKCI
SCHEMBL22489733 0.75 PRMT6 (0.55) PRMT6CYP19A1SMN1; SMN2LMNAKMT2A
SCHEMBL22489791 0.75 NAMPT (0.54) PRMT6CYP19A1SMN1; SMN2LMNAROCK2

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-11236055-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2022-02-01 US disclosed
US-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2020-10-01 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-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, SSTR5, FFAR3 PRMT6 3537/4885CYP19A1 2140/4885CNR1 57/4885
US-11236055-B2 Non-systemic TGR5 agonists SSTR5, GPR119, FFAR3 PRMT6 3062/4885CYP19A1 1627/4885CNR1 62/4885

“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.