SCHEMBL16804121

SCHEMBL16804121

Cc1cccc(OS(C)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.39
PPARG P37231 1/20 0.39
LYN P07948 1/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL29468656 0.85 ACHE (0.56) ACHELMNAALDH1A1HTTTDP1
SCHEMBL3896460 0.85 ACHE (0.56) ACHELMNAALDH1A1HTTTDP1
SCHEMBL4132638 0.82 LMNA (0.53) ACHELMNAALDH1A1HTTTDP1
SCHEMBL3883831 0.80 ACHE (0.55) ACHELMNAALDH1A1HTTTDP1
SCHEMBL3883005 0.80 ACHE (0.50) ACHELMNAALDH1A1HTTTDP1
Toluene SCHEMBL28188285 0.79 LMNA (0.46) ACHELMNAALDH1A1HTTKMT2A
SCHEMBL27769975 0.79 TDP1 (0.50) ACHELMNAALDH1A1HTTTDP1
SCHEMBL3883336 0.76 ACHE (0.46) ACHELMNAALDH1A1HTTTDP1
SCHEMBL13937490 0.75 CA4 (0.43) LMNAHTTTDP1L3MBTL1
SCHEMBL13916569 0.75 KDM4E (0.44) ACHELMNAALDH1A1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222898-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2018-08-09 US disclosed
US-9944631-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2018-04-17 US disclosed
US-20170313690-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2017-11-02 US disclosed
US-9758514-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2017-09-12 US disclosed
US-20150166526-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2015-06-18 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 (3 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-20170313690-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E ACHE 1879/4885LMNA 1528/4885ALDH1A1 3912/4885
US-20150166526-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E ACHE 1879/4885LMNA 1528/4885ALDH1A1 3912/4885
US-20180222898-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E ACHE 1879/4885LMNA 1528/4885ALDH1A1 3912/4885

“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.