SCHEMBL22489891

SCHEMBL22489891

O=S(=O)(NCc1cccc(-c2ccncc2)c1)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.54
CYP19A1 P11511 5/20 0.53
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ROCK2 O75116 2/20 0.48
CDC7 O00311 1/20 0.48
MAP4K4 O95819 1/20 0.48
PIM1 P11309 1/20 0.48
CDK2 P24941 1/20 0.48
GSK3B P49841 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
CNR1 P21554 1/20 0.47
CYP17A1 P05093 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47

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
SCHEMBL17372930 0.87 SMN1; SMN2 (0.68) NAMPTCYP19A1LMNASMN1; SMN2ALDH1A1
SCHEMBL22489742 0.85 CYP19A1 (0.53) NAMPTCYP19A1LMNASMN1; SMN2PRMT6
SCHEMBL22489791 0.85 NAMPT (0.54) NAMPTCYP19A1LMNASMN1; SMN2PRMT6
SCHEMBL22489733 0.85 PRMT6 (0.55) NAMPTCYP19A1LMNASMN1; SMN2PRMT6
SCHEMBL22467260 0.84 CYP19A1 (0.60) NAMPTCYP19A1LMNASMN1; SMN2PRMT6
SCHEMBL1846572 0.84 ROCK2 (0.46) NAMPTCYP19A1LMNASMN1; SMN2ALDH1A1
SCHEMBL22489916 0.82 NAMPT (0.57) NAMPTCYP19A1SMN1; SMN2PRMT6ALDH1A1
SCHEMBL22489899 0.81 CYP19A1 (0.73) CYP19A1LMNASMN1; SMN2PRMT6ALDH1A1
SCHEMBL22489801 0.80 PRMT6 (0.51) NAMPTCYP19A1LMNASMN1; SMN2PRMT6
SCHEMBL9954386 0.79 CYP19A1 (0.58) NAMPTCYP19A1SMN1; SMN2POLBKMT2A

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 NAMPT 2652/4885CYP19A1 2140/4885LMNA 4662/4885
US-11236055-B2 Non-systemic TGR5 agonists SSTR5, GPR119, FFAR3 NAMPT 2697/4885CYP19A1 1627/4885LMNA 4626/4885

“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.