SCHEMBL628634

SCHEMBL628634

COc1ccc(O)c(C(=S)S)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
MCL1 Q07820 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HPGD P15428 5/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
ALOX12 P18054 2/20 0.46
CYP3A4 P08684 2/20 0.46

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
SCHEMBL3175667 0.82 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL3175654 0.81 NPC1 (0.56) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL28093168 0.76 RAB9A (0.71) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6856233 0.74 NPC1 (0.58) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL12327906 0.74 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL128781 0.74 CA1 (0.61) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL312754 0.74 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL29431885 0.74 CA1 (0.61) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL29445806 0.74 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL17089323 0.74 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4EMAPT

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-8933129-B2 Compounds and methods for modulating activity of calcium release channels STATE OF OREGON BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2015-01-13 US disclosed
US-20120101085-A1 Compounds And Methods For Modulating Activity Of Calcium Release Channels State of Oregon by and through the State Board of Higher Education on behalf of Portland State Univ. (US) 2012-04-26 US disclosed
EP-2418950-A1 COMPOUNDS AND METHODS FOR MODULATING ACTIVITY OF CALCIUM RELEASE CHANNELS State Of Oregon By&Through The State Board Of Higher Education On Behalf Of Portland State Unv. (US) 2012-02-22 EP disclosed
WO-2010120382-A1 COMPOUNDS AND METHODS FOR MODULATING ACTIVITY OF CALCIUM RELEASE CHANNELS STATE OF OREGON BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2010-10-21 WO disclosed
US-4539412-A ANTITUMOR AGENTS RENSSELAER POLYTECHNIC INSTITUTE (US) 1985-09-03 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-20120101085-A1 Compounds And Methods For Modulating Activity Of Calcium Release Channels RYR2, RYR1, CACNA1E ALDH1A1 2115/4885MEN1 3019/4885KMT2A 4517/4885

“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.