SCHEMBL6568428

SCHEMBL6568428

O=S(=O)(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1.[LiH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CYP2D6 P10635 2/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 3/20 0.52
CYP3A4 P08684 1/20 0.52
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
LMNA P02545 1/20 0.48
ALDH1A1 P00352 4/20 0.46
NT5E P21589 1/20 0.46
SNCA P37840 1/20 0.41
MAPK1 P28482 1/20 0.38
HTR6 P50406 1/20 0.37
HSD17B10 Q99714 2/20 0.36
PTPRA P18433 1/20 0.36
PTPRB P23467 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL996850 0.98 TSHR (0.65) TSHRSMN1; SMN2CYP2D6POLBTDP1
SCHEMBL718256 0.98 TSHR (0.65) TSHRSMN1; SMN2CYP2D6POLBTDP1
SCHEMBL8773415 0.96 TSHR (0.62) TSHRSMN1; SMN2CYP2D6POLBTDP1
Water SCHEMBL570669 0.96 TSHR (0.62) TSHRSMN1; SMN2CYP2D6POLBTDP1
Water SCHEMBL30394765 0.96 TSHR (0.62) TSHRSMN1; SMN2CYP2D6POLBTDP1
SCHEMBL6569261 0.96 TSHR (0.62) TSHRSMN1; SMN2CYP2D6POLBTDP1
Potassium SCHEMBL1450612 0.96 TSHR (0.62) TSHRSMN1; SMN2CYP2D6POLBTDP1
SCHEMBL301148 0.96 TSHR (0.62) TSHRSMN1; SMN2CYP2D6POLBTDP1
SCHEMBL8145540 0.96 TSHR (0.62) TSHRSMN1; SMN2CYP2D6POLBTDP1
Water SCHEMBL1238257 0.94 TSHR (0.60) TSHRSMN1; SMN2CYP2D6POLBTDP1

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-20040249195-A1 Lithium rho-diarylphosphinobenzenesulfonates, process for preparation of the same and use thereof KURARAY CO., LTD. (JP) 2004-12-09 US claimed
EP-1405854-A1 LITHIUM P-DIARYLPHOSPHINOBENZENESULFONATES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF KURARAY CO., LTD. (JP) 2004-04-07 EP claimed
US-20040249195-A1 Lithium rho-diarylphosphinobenzenesulfonates, process for preparation of the same and use thereof KURARAY CO., LTD. (JP) 2004-12-09 US disclosed
EP-1405854-A1 LITHIUM P-DIARYLPHOSPHINOBENZENESULFONATES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF KURARAY CO., LTD. (JP) 2004-04-07 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-20040249195-A1 Lithium rho-diarylphosphinobenzenesulfonates, process for preparation of the same and use thereof ROCK1, RHOA, ARHGDIA TSHR 4117/4885SMN1; SMN2 4473/4885CYP2D6 161/4885

“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.