SCHEMBL6862850

SCHEMBL6862850

Cc1ccc(C2SCC(CO)S2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GABRP O00591 4/20 0.36
GABRD O14764 4/20 0.36
GABRA1 P14867 4/20 0.36
GABRB1 P18505 4/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
GABRA5 P31644 4/20 0.36
GABRA3 P34903 4/20 0.36
GABRA2 P47869 4/20 0.36
GABRB2 P47870 4/20 0.36
GABRA4 P48169 4/20 0.36
GABRE P78334 4/20 0.36
GABRA6 Q16445 4/20 0.36
GABRG1 Q8N1C3 4/20 0.36
GABRG3 Q99928 4/20 0.36
GABRQ Q9UN88 4/20 0.36
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35

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
SCHEMBL6856408 0.87 GABRP (0.36) MAPTKDM4EGABRPGABRDGABRA1
SCHEMBL6860853 0.83 MAPT (0.35) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL9605354 0.83 HTR2A (0.42) MAPTKDM4EGABRPGABRDGABRA1
SCHEMBL6862816 0.82 SLC18A3 (0.34) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL6861068 0.82 SLC5A2 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6862954 0.82 PTGS1 (0.41) MAPTKDM4ESLC5A1SLC5A2ALDH1A1
SCHEMBL6864202 0.80 KDM1A (0.36) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL6862299 0.80 MAPT (0.33) MAPTKDM4EGABRPGABRDGABRA1
SCHEMBL5204843 0.79 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5209723 0.77 HTR2C (0.32) HTR2C

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-6794471-B2 OF A HYDROXYHYDROCARBYL- OR MERCAPTOHYDROCARBYL- DITHIOLANE; CURED OPTICAL ARTICLE FORMED BY PHOTOPOLYMERIZING THE ACRYLATE MITSUI CHEMICALS, INC. (JP) 2004-09-21 US disclosed
EP-1193264-B1 Acrylic ester compound and usage thereof MITSUI CHEMICALS INC (JP) 2004-03-31 EP disclosed
US-20020061995-A1 Acrylic ester compound and usage thereof MITSUI CHEMICALS, INC. (JP) 2002-05-23 US disclosed
EP-1193264-A1 Acrylic ester compound and usage thereof Mitsui Chemicals, Inc. (JP) 2002-04-03 EP 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-20020061995-A1 Acrylic ester compound and usage thereof ASS1, HAT1, EIF2B1 MAPT 3869/4885KDM4E 743/4885GABRP 2772/4885

“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.