SCHEMBL19969657

SCHEMBL19969657

CCCNc1nc2c(c(NC3(CO)CCC3)n1)[S+]([O-])CC2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL14734142 0.79 LATS1 (0.32) —
SCHEMBL30639342 0.79 LATS1 (0.32) —
SCHEMBL31571836 0.79 LATS1 (0.32) —
SCHEMBL30639341 0.79 LATS1 (0.32) —
SCHEMBL30758491 0.78 LATS1 (0.30) —
SCHEMBL29576569 0.77 LATS1 (0.32) —
SCHEMBL19560011 0.77 — —
SCHEMBL31491332 0.74 — —
SCHEMBL30678840 0.74 LATS1 (0.32) —
SCHEMBL30678848 0.74 LATS1 (0.32) —

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-20180072754-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INT (DE) 2018-03-15 — — 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-20180072754-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA CBS, CYSLTR1, DHPS NNMT 500/4885MEN1 4866/4885LMNA 4861/4885

“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.

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