SCHEMBL18560993

SCHEMBL18560993

Cc1ccc(C(C)(C)C#N)cc1COS(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.32
ATM Q13315 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
BRAF P15056 1/20 0.30

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
SCHEMBL17224496 0.85 CASP1 (0.38) RORCATMCA1CA2CA9
SCHEMBL18560992 0.74 KLF10 (0.43) RORCESR1ESR2BRAF
SCHEMBL25767568 0.74 ESR1 (0.33) ESR1ESR2BRAF
SCHEMBL5643020 0.74 TAAR1 (0.44) CA1CA2CA9
SCHEMBL25586916 0.72 RORC (0.43) RORCBRAF
SCHEMBL10227953 0.71 SCN10A (0.38) ESR1BRAF
SCHEMBL19972561 0.70 RORC (0.41) RORCESR1ESR2CA1CA2
SCHEMBL25767593 0.70 CNR1 (0.31) ESR1ESR2
SCHEMBL5035784 0.68 CYP19A1 (0.54)
SCHEMBL6774397 0.68 KDM4E (0.39) CA1CA2CA9

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-9902730-B2 Compounds and compositions as toll-like receptor 7 agonists NOVARTIS AG (CH) 2018-02-27 US disclosed
US-20170057968-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS AG (CH) 2017-03-02 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-20170057968-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS TLR7, TLR3, TLR1 RORC 84/4885ATM 1196/4885ESR1 401/4885

“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.