SCHEMBL4182772

SCHEMBL4182772

CC[C@H](C)[C@H](NC(=O)c1ccco1)C(=O)NCC1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
RCE1 Q9Y256 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ACLY P53396 1/20 0.38
ALOX12 P18054 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
F10 P00742 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4182769 1.00 POLB (0.40) POLBSMN1; SMN2TSHRMAPK1LMNA
SCHEMBL4178078 0.88 CTSL (0.41) POLBSMN1; SMN2TSHRMAPK1LMNA
SCHEMBL4178660 0.87 SMN1; SMN2 (0.40) POLBSMN1; SMN2TSHRMAPK1LMNA
SCHEMBL4181430 0.85 ACLY (0.42) POLBSMN1; SMN2TSHRMAPK1LMNA
SCHEMBL4180985 0.84 TRPV4 (0.46) POLBKMT2AMEN1ALDH1A1ACLY
SCHEMBL4188294 0.83 CTSS (0.44) POLBSMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL4175732 0.82 KMT2A (0.41) POLBTSHRLMNAKMT2AMEN1
SCHEMBL4175731 0.82 KMT2A (0.41) POLBTSHRLMNAKMT2AMEN1
SCHEMBL4182779 0.77 CCR1 (0.49) POLBTSHRLMNAKMT2AMEN1
SCHEMBL4180614 0.77 KMT2A (0.45) SMN1; SMN2TSHRMAPK1LMNAKMT2A

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-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 POLB 4819/4885SMN1; SMN2 3714/4885TSHR 1343/4885

“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.