SCHEMBL12879553

SCHEMBL12879553

Cc1ccc(N2CCN(c3nc4c(c(NC5(CO)CC5)n3)[S+]([O-])CC4)[C@@H](C)C2)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.32
▸ SORD Q00796 2/20 0.31
▸ HSD11B1 P28845 3/20 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
SCHEMBL8059391 0.92 HSD11B1 (0.37) ACACBHSD11B1
SCHEMBL12879585 0.84 — —
SCHEMBL15315381 0.83 — —
SCHEMBL12879558 0.83 — —
SCHEMBL12879545 0.82 SORD (0.34) ACACBSORD
SCHEMBL12879551 0.82 SORD (0.34) ACACBSORD
SCHEMBL12921392 0.81 JAK2 (0.31) —
SCHEMBL12879565 0.81 L3MBTL1 (0.30) —
SCHEMBL12921205 0.80 ALDH1A1 (0.30) —
SCHEMBL590295 0.79 CETP (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090626-B2 Piperazino-dihydrothienopyrimidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-28 — — US disclosed
US-20130274264-A1 PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-17 — — US disclosed
US-8486948-B2 Piperazinodihydrothienopyrimidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 — — US disclosed
US-20110046096-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 — — 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-20110046096-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES DPYD, PRDX5, PRDX1 ACACB 4299/4885SORD 966/4885HSD11B1 4135/4885
US-20130274264-A1 PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES PDE4A, PDE12, PDE4B ACACB 3699/4885SORD 218/4885HSD11B1 151/4885

“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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