SCHEMBL70312

SCHEMBL70312

O=C(O)[C@H]1CSC[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.43
GRM4 Q14833 5/20 0.36
CYP2C19 P33261 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRM8 O00222 2/20 0.36
GRM6 O15303 2/20 0.36
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 1/20 0.36
GABRR2 P28476 1/20 0.36
GRM2 Q14416 3/20 0.36
SLC1A2 P43004 2/20 0.35
GRM3 Q14832 2/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
GRM5 P41594 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL15055464 1.00 GABRR1 (0.43) GABRR1GRM4CYP2C19MEN1KMT2A
SCHEMBL17848809 0.84 GABRR1 (0.33) GABRR1
SCHEMBL28602961 0.81 GABRR1 (0.35) GABRR1MEN1KMT2ATDP1GABRR2
SCHEMBL29957170 0.81
SCHEMBL19796163 0.81 GRM2 (0.36) GABRR1MEN1KMT2AALDH1A1GABRR2
SCHEMBL8972064 0.81 PPM1B (0.37) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL8969007 0.76 POLB (0.33) TDP1GRM2GRM3LMNAKDM4E
SCHEMBL8970065 0.76 GRM2 (0.36) GRM2GRM3
SCHEMBL8970200 0.76 PPM1B (0.42) ALDH1A1
SCHEMBL9031555 0.75 GABRR1 (0.35) GABRR1GABRR2

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
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 GABRR1 1542/4885GRM4 1160/4885CYP2C19 3009/4885

“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.