SCHEMBL10064447

SCHEMBL10064447

O=C(O)c1ccc([S+](c2ccccc2)c2ccccc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.53
P4HA1 P13674 3/20 0.52
P4HTM Q9NXG6 2/20 0.52
MIF P14174 1/20 0.50
HCAR3 P49019 7/20 0.49
NAPRT Q6XQN6 2/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48

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
SCHEMBL3189981 0.76 TSHR (0.59) NAPRTALDH1A1CYP2C9HPGDDAO
SCHEMBL3191806 0.76 TSHR (0.59) NAPRTALDH1A1CYP2C9HPGDDAO
SCHEMBL407288 0.75 KMT2A (0.34) LDHAP4HTMGABRA5MAPTLMNA
Hydrochloric Acid SCHEMBL31564940 0.74 TSHR (0.56) NAPRTALDH1A1CYP2C9HPGDDAO
Benzoic Acid SCHEMBL12230948 0.73 TSHR (0.70) NAPRTALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL8521764 0.69 P4HTM (0.73) LDHAP4HA1P4HTMMIFHCAR3
SCHEMBL505455 0.69 LDHA (1.00) LDHAP4HA1P4HTMMIFHCAR3
Terephthalic Acid SCHEMBL107594 0.69 CA2 (0.56) NAPRTDAOTSHRCES2CES1
SCHEMBL68560 0.69 P4HTM (1.00) LDHAP4HA1P4HTMMIFHCAR3
SCHEMBL29683317 0.69 P4HTM (1.00) LDHAP4HA1P4HTMMIFHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 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-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes KIT, STS, TST LDHA 3696/4885P4HA1 4200/4885P4HTM 4160/4885

“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.