SCHEMBL3671893

SCHEMBL3671893

CCCC[P+](CCCC)(CCCC)CCCC.Nc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.49
GAA P10253 1/20 0.47
CA2 P00918 9/20 0.45
CA1 P00915 6/20 0.45
CA9 Q16790 5/20 0.45
CA12 O43570 4/20 0.45
TSHR P16473 4/20 0.41
HTR6 P50406 2/20 0.41
LMNA P02545 1/20 0.41
MPO P05164 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CA7 P43166 4/20 0.39
CA4 P22748 2/20 0.39
CA14 Q9ULX7 2/20 0.39
USP2 O75604 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3473284 0.84 NR1I2 (0.50) NR1I2GAACA2TSHRTDP1
SCHEMBL305721 0.84 NR1I2 (0.50) NR1I2GAACA2CA1CA9
Phenolsulfonic Acid SCHEMBL23214379 0.83 NR1I2 (0.49) NR1I2CA2CA1CA9CA12
SCHEMBL20565715 0.83 NR1I2 (0.49) NR1I2CA2CA1CA9CA12
SCHEMBL20573511 0.81 NR1I2 (0.51) NR1I2GAACA2CA9CA12
SCHEMBL524731 0.80 NR1I2 (0.54) NR1I2CA2CA9CA12TSHR
SCHEMBL514091 0.80 NR1I2 (0.54) NR1I2CA2CA9CA12TSHR
SCHEMBL9240345 0.79 NR1I2 (0.42) NR1I2GAACA2CA1CA9
Tetrabuthylammonium SCHEMBL19019699 0.79 GAA (0.47) NR1I2GAACA2CA1CA9
Hydrochloric Acid SCHEMBL10968743 0.79 NR1I2 (0.52) NR1I2GAATDP1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240058452-A1 PHARMACEUTICAL COMPOSITION CONTAINING TEMPERATURE-RESPONSIVE IONIC LIQUID TORAY INDUSTRIES, INC. (JP) 2024-02-22 US disclosed
CN-114502142-B Pharmaceutical composition comprising temperature responsive ionic liquid 东丽株式会社 2023-05-09 CN disclosed
EP-4043007-A1 PHARMACEUTICAL COMPOSITION INCLUDING TEMPERATURE-RESPONSIVE IONIC LIQUID Toray Industries, Inc. (JP) 2022-08-17 EP disclosed
CN-114502142-A Pharmaceutical compositions comprising temperature-responsive ionic liquids 东丽株式会社 2022-05-13 CN disclosed
US-8197931-B2 White polyester film and reflection sheet TORAY INDUSTRIES, INC. (JP) 2012-06-12 US disclosed
US-20100086736-A1 WHITE POLYESTER FILM AND REFLECTION SHEET TORAY INDUSTRIES, INC. (JP) 2010-04-08 US disclosed
EP-2128188-A1 WHITE POLYESTER FILM AND REFLECTIVE SHEET Toray Industries, Inc. (JP) 2009-12-02 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-20240058452-A1 PHARMACEUTICAL COMPOSITION CONTAINING TEMPERATURE-RESPONSIVE IONIC LIQUID SULT1A1, CYP2C19, SULT2A1 NR1I2 910/4885GAA 4090/4885CA2 234/4885

“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.