SCHEMBL21227005

SCHEMBL21227005

C[C@@H](CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
KMT2A Q03164 2/20 0.42
PTGS2 P35354 7/20 0.41
MEN1 O00255 1/20 0.40
EPHX1 P07099 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL21227006 0.87 GCK (0.36) GCKCHRM2CHRM1KMT2AMEN1
SCHEMBL13621273 0.83 GCK (0.36) GCKCHRM2CHRM1PTGS2
SCHEMBL2646180 0.80 GCK (0.57) GCKCHRM2CHRM1KMT2AMEN1
SCHEMBL2646260 0.80 GCK (0.57) GCKCHRM2CHRM1KMT2AMEN1
SCHEMBL1107300 0.79 GCK (0.56) GCKCHRM2CHRM1KMT2AEPHX1
SCHEMBL27969237 0.78 METAP2 (0.42) CHRM2CHRM1KMT2AMEN1EPHX1
SCHEMBL1865136 0.78 GCK (0.58) GCKKMT2AMEN1EPHX1
SCHEMBL1107388 0.78 GCK (0.58) GCKKMT2AMEN1EPHX1
SCHEMBL1865137 0.78 GCK (0.58) GCKKMT2AMEN1EPHX1
SCHEMBL21226951 0.77 L3MBTL1 (0.47) KMT2AMEN1EPHX1

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-10370393-B2 Stereoretentive cross-coupling of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-08-06 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-10370393-B2 Stereoretentive cross-coupling of boronic acids NBAS, CNKSR1, REL GCK 3167/4885CHRM2 660/4885CHRM1 695/4885

“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.