SCHEMBL21244033

SCHEMBL21244033

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 2/20 0.58
MCOLN2 Q8IZK6 2/20 0.58
MCOLN1 Q9GZU1 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.54
PKM P14618 1/20 0.54
GPR55 Q9Y2T6 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 3/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 1/20 0.46
PLA2G1B P04054 1/20 0.45

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
SCHEMBL21244032 1.00 MCOLN3 (0.58) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL23057205 0.89 TSHR (0.57) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL23057180 0.89 MCOLN3 (0.68) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL23355079 0.88 GAA (0.59) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL23057085 0.88 MCOLN3 (0.70) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL29947187 0.88 MCOLN3 (0.70) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL23043738 0.88 MCOLN3 (0.70) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL21244027 0.87 MCOLN2 (0.55) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL30232800 0.86 MCOLN3 (0.53) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL23368556 0.85 MCOLN3 (0.54) MCOLN3MCOLN2MCOLN1L3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851084-B2 Piperazine derivatives as TRPML modulators Lysoway Therapeutics, Inc. (US) 2020-12-01 US claimed
US-20190248764-A1 PIPERAZINE DERIVATIVES AS TRPML MODULATORS CalyGene Biotechnolgy, Inc. (US) 2019-08-15 US claimed
US-10851084-B2 Piperazine derivatives as TRPML modulators Lysoway Therapeutics, Inc. (US) 2020-12-01 US disclosed
US-20190248764-A1 PIPERAZINE DERIVATIVES AS TRPML MODULATORS CalyGene Biotechnolgy, Inc. (US) 2019-08-15 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-10851084-B2 Piperazine derivatives as TRPML modulators TRPM5, TRPM2, TRPM4 MCOLN3 9/4885MCOLN2 8/4885MCOLN1 7/4885
US-20190248764-A1 PIPERAZINE DERIVATIVES AS TRPML MODULATORS TRPM5, TRPM2, TRPM4 MCOLN3 9/4885MCOLN2 8/4885MCOLN1 7/4885

“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.