SCHEMBL22489899

SCHEMBL22489899

O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(-c3ccncc3)c2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.73
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL5039039 0.88 CYP19A1 (0.76) CYP19A1CYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL5034929 0.82 CYP19A1 (0.74) CYP19A1CYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL4349159 0.81 CYP19A1 (0.86) CYP19A1CYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL30075076 0.81 CYP19A1 (0.86) CYP19A1CYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL22489742 0.81 CYP19A1 (0.53) CYP19A1ALDH1A1LMNASMN1; SMN2PRMT6
SCHEMBL22489733 0.81 PRMT6 (0.55) CYP19A1ALDH1A1KMT2AMEN1POLB
SCHEMBL22489891 0.81 NAMPT (0.54) CYP19A1CYP3A4ALDH1A1KMT2APOLB
SCHEMBL22489791 0.81 NAMPT (0.54) CYP19A1ALDH1A1LMNASMN1; SMN2PRMT6
SCHEMBL13623003 0.80 CYP19A1 (0.82) CYP19A1CYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL28156592 0.80 CYP19A1 (0.82) CYP19A1CYP1A2CYP3A4CYP2C19L3MBTL1

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 CYP19A1 2140/4885CYP1A2 2095/4885CYP3A4 2459/4885
US-11236055-B2 Non-systemic TGR5 agonists SSTR5, GPR119, FFAR3 CYP19A1 1627/4885CYP1A2 1864/4885CYP3A4 2266/4885

“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.