SCHEMBL4308231

SCHEMBL4308231

C[Sn](C)(C)c1ccc(CO)nc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
S1PR1 P21453 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM5B Q9UGL1 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL6808738 0.76 HTT (0.33)
SCHEMBL21293726 0.73 KCNH2 (0.32)
SCHEMBL21166 0.71
SCHEMBL6041393 0.70 NOS3 (0.41)
SCHEMBL1924446 0.69
SCHEMBL4140258 0.69 CCR1 (0.41) CCR1PIK3CAPI4KAPI4KBALDH1A1
SCHEMBL1962963 0.69 ADRA2A (0.38)
SCHEMBL12162594 0.68 PIK3CA (0.41) CCR1PIK3CAPI4KAPI4KBS1PR1
SCHEMBL2380517 0.68 HRH3 (0.50) CCR1PIK3CAPI4KAPI4KBS1PR1
SCHEMBL2098949 0.68 KMT2A (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242974-B2 Processes for the preparation of 2-fluoro 6-11 bicyclic erythromycin derivatives ENANTA PHARMACEUTICALS, INC. (US) 2016-01-26 US disclosed
US-20140073797-A1 PROCESSES FOR THE PREPARATION OF 2-FLUORO 6-11 BICYCLIC ERYTHROMYCIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-8552162-B2 Processes for the preparation of 2 fluoro 6-11 bicyclic erythromycin derivatives ENANTA PHARMACEUTICALS, INC. (US) 2013-10-08 US disclosed
WO-2009137787-A1 PROCESSES FOR THE PREPARATION OF 2-FLUORO 6-11 BICYCLIC ERYTHROMYCIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
US-20090281293-A1 PROCESSES FOR THE PREPARATION OF 2 FLUORO 6-11 BICYCLIC ERYTHROMYCIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-11-12 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-20140073797-A1 PROCESSES FOR THE PREPARATION OF 2-FLUORO 6-11 BICYCLIC ERYTHROMYCIN DERIVATIVES CYP2F1, CYP2B6, CYP4F11 CCR1 997/4885PIK3CA 3013/4885PI4KA 3770/4885
US-20090281293-A1 PROCESSES FOR THE PREPARATION OF 2 FLUORO 6-11 BICYCLIC ERYTHROMYCIN DERIVATIVES CYP2F1, CYP2B6, CYP4F11 CCR1 941/4885PIK3CA 2823/4885PI4KA 3579/4885

“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.