SCHEMBL19242521

SCHEMBL19242521

Cc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c(=O)c3c2)s1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATIC P31939 13/20 0.55
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48
KIT P10721 2/20 0.47
ESR1 P03372 1/20 0.43
CYP19A1 P11511 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL17808372 0.85 ATIC (0.55) ATICESR1MEN1LMNAKMT2A
SCHEMBL17801561 0.84 ATIC (0.51) ATICESR1CYP19A1
SCHEMBL19413517 0.83 ATIC (0.53) ATICBRD4CREBBPKITMEN1
SCHEMBL19413511 0.83 ATIC (0.50) ATICESR1CYP19A1
SCHEMBL17801469 0.81 ATIC (0.48) ATICESR1CYP19A1
SCHEMBL20725868 0.81 ATIC (0.48) ATICESR1CYP19A1
SCHEMBL17801466 0.81 ATIC (0.48) ATICESR1CYP19A1
SCHEMBL17808601 0.77 ATIC (0.44) ATICESR1CYP19A1MEN1LMNA
SCHEMBL31701951 0.71 ATIC (0.50) ATICBRD4ESR1CYP19A1MEN1
SCHEMBL17808590 0.70 ATIC (0.69) ATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233378-A1 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS ELI LILLY AND COMPANY (US) 2017-08-17 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 (1 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-20170233378-A1 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS CDKN1A, API5, NUTF2 ATIC 1371/4885BRD4 273/4885CREBBP 1815/4885

“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.