SCHEMBL7109851

SCHEMBL7109851

CN(C(=S)CCc1cc2cc(Cl)ccc2[nH]1)C1CCN(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGL P06737 12/20 0.45
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
HRH4 Q9H3N8 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP51A1 Q16850 3/20 0.40
HRH1 P35367 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
SCHEMBL7018810 0.87 KMT2A (0.44) PYGLMEN1RAB9AKMT2AATM
SCHEMBL7109854 0.76 PYGL (0.51) PYGLMEN1RAB9AKMT2AATM
SCHEMBL7016055 0.76 HDAC6 (0.54) HRH1
SCHEMBL7019880 0.76 F10 (0.51) PYGL
SCHEMBL7012587 0.73 F10 (0.54)
SCHEMBL7014368 0.71 LOXL2 (0.57) PYGLMEN1RAB9AKMT2ASIRT1
SCHEMBL25200874 0.71 SIRT1 (0.52) MEN1KMT2ASIRT1HRH4HRH3
SCHEMBL7014365 0.68 SIRT1 (0.60) PYGLMEN1RAB9AKMT2ASIRT1
SCHEMBL4324479 0.67 HRH4 (0.62) PYGLMEN1RAB9AKMT2AATM
SCHEMBL30222912 0.67 SIRT1 (0.58) MEN1RAB9AKMT2ASIRT1SMN1; SMN2

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-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH PYGL 4465/4885MEN1 1401/4885RAB9A 1515/4885

“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.