SCHEMBL4615322

SCHEMBL4615322

NCc1cccc(S(=O)(=O)NCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.69
CYP19A1 P11511 3/20 0.60
CA12 O43570 2/20 0.59
CA9 Q16790 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HTT P42858 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HTR6 P50406 2/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
LMNA P02545 4/20 0.57
SLC12A2 P55011 1/20 0.57
SLC12A5 Q9H2X9 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 1/20 0.55

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
Hydrochloric Acid SCHEMBL4010772 0.98 KEAP1 (0.67) KEAP1CYP19A1CA12CA9HDAC2
SCHEMBL14302919 0.87 KEAP1 (0.73) KEAP1CYP19A1CA12CA9CYP1A2
SCHEMBL14025561 0.85 KEAP1 (0.71) KEAP1CYP19A1CA12CA9HDAC2
Hydrochloric Acid SCHEMBL4613703 0.85 KEAP1 (0.71) KEAP1CYP19A1CA12CA9CYP1A2
SCHEMBL4061585 0.84 KEAP1 (0.69) KEAP1CYP19A1CA12CA9HDAC2
SCHEMBL5032445 0.84 CYP19A1 (0.85) KEAP1CYP19A1CA12CA9HDAC2
SCHEMBL31339948 0.84 CYP19A1 (0.85) KEAP1CYP19A1CA12CA9HDAC2
SCHEMBL10268297 0.84 KEAP1 (0.69) KEAP1CYP19A1CA12CA9HDAC2
Benzylamine SCHEMBL27645863 0.83 KEAP1 (0.67) KEAP1CYP19A1CA12CA9CYP1A2
SCHEMBL407414 0.82 KEAP1 (1.00) KEAP1CA12CA9HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 US disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
US-7067541-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2006-06-27 US disclosed
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-06 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 (3 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 KEAP1 1557/4885CYP19A1 2848/4885CA12 4789/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 KEAP1 1557/4885CYP19A1 2848/4885CA12 4789/4885
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 KEAP1 342/4885CYP19A1 510/4885CA12 3053/4885

“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.