SCHEMBL15039458

SCHEMBL15039458

C[S+]([O-])c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.36
MAPT P10636 8/20 0.36
TP53 P04637 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MGLL Q99685 2/20 0.33
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.31
USP30 Q70CQ3 1/20 0.31
KMT2A Q03164 2/20 0.31
F2RL1 P55085 1/20 0.31
GNE Q9Y223 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL15034145 0.88 MAPT (0.40) CFTRMAPTTP53SMN1; SMN2MGLL
SCHEMBL15023304 0.84 CFTR (0.39) CFTRMAPTTP53SMN1; SMN2MGLL
SCHEMBL15034128 0.84 CFTR (0.42) CFTRMAPTTP53SMN1; SMN2MGLL
SCHEMBL15034351 0.84 CFTR (0.37) CFTRMAPTTP53SMN1; SMN2MGLL
SCHEMBL15034224 0.83 CFTR (0.36) CFTRMAPTTP53SMN1; SMN2MGLL
SCHEMBL15034121 0.83 IRAK4 (0.37) CFTRMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL15034154 0.82 MGLL (0.39) CFTRMAPTTP53SMN1; SMN2MGLL
SCHEMBL15034129 0.82 CFTR (0.39) CFTRMAPTTP53SMN1; SMN2MGLL
SCHEMBL15034134 0.81 CFTR (0.44) CFTRMAPTTP53SMN1; SMN2MGLL
SCHEMBL15034076 0.80 SLC6A7 (0.39) CFTRMAPTTP53MGLLPOLB

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-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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-20130158042-A1 NOVEL COMPOUNDS GRM5, GRIK5, GRM1 CFTR 3753/4885MAPT 270/4885TP53 3722/4885

“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.