SCHEMBL4076098

SCHEMBL4076098

Cc1ccc(N2CCN(c3nc4c(c(N[C@@H](CO)Cc5ccc(O)cc5)n3)[S+]([O-])CC4)CC2)cc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 0.31
▸ SLC27A1 Q6PCB7 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 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
SCHEMBL589893 0.92 ME2 (0.36) ESR1ESR2
SCHEMBL590107 0.79 HRH1 (0.37) —
SCHEMBL591223 0.78 TLR8 (0.32) —
SCHEMBL3880704 0.78 HTR3A (0.35) GAA
SCHEMBL4072273 0.78 CETP (0.37) MAPTGAA
SCHEMBL12921206 0.75 CRHR1 (0.32) —
SCHEMBL3046737 0.74 HTR3A (0.36) ESR1ESR2MAPTGAA
SCHEMBL3046733 0.74 HTR3A (0.36) ESR1ESR2MAPTGAA
SCHEMBL588851 0.74 CDK1 (0.34) —
SCHEMBL7715595 0.73 CCNA2 (0.33) —

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-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — 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-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT ESR1 2178/4885ESR2 1737/4885SLC27A1 2996/4885

“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.

Send feedback