SCHEMBL6576674

SCHEMBL6576674

O=S(=O)(O)C1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
NFKB1 P19838 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRA6 Q16445 1/20 0.50
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
PIK3CA P42336 5/20 0.32
AKT1 P31749 4/20 0.32
MTOR P42345 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
Hydrochloric Acid SCHEMBL28179885 0.97 TSHR (0.48) TSHRLMNACYP3A4GABRA1GABRG2
SCHEMBL4620125 0.85 TSHR (0.63) TSHRLMNACYP3A4GABRA1GABRG2
SCHEMBL5212 0.85
SCHEMBL28187979 0.84
SCHEMBL27945253 0.84
Hydrochloric Acid SCHEMBL28062352 0.82 LMNA (0.39) TSHRLMNACYP3A4GABRA1GABRG2
Hydrochloric Acid SCHEMBL443213 0.82
SCHEMBL17159759 0.82
SCHEMBL3136111 0.78 TSHR (0.50) TSHRLMNACYP3A4GABRA1GABRG2
SCHEMBL12212940 0.77 TSHR (0.55) TSHRLMNACYP3A4GABRA1GABRG2

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP claimed
EP-1247807-B1 PROCESSES FOR PRODUCING TETRAHYDROPYRANYL-4-SULFONATE AND 4-AMINOTETRAHYDROPYRAN COMPOUND UBE INDUSTRIES (JP) 2004-04-28 EP claimed
US-6653489-B2 Reacting 3-buten-1-ol with a formaldehyde compound and an organic sulfonic acid UBE INDUSTRIES, INC. (JP) 2003-11-25 US claimed
US-20030004359-A1 Processes for producing tetrahydropyranyl-4-sulfonates and 4-aminotetrahydropyran compound UBE INDUSTRIES, LTD. (JP) 2003-01-02 US claimed
EP-1247807-A1 PROCESSES FOR PRODUCING TETRAHYDROPYRANYL-4-SULFONATE AND 4-AMINOTETRAHYDROPYRAN COMPOUND Ube Industries, Ltd. (JP) 2002-10-09 EP claimed
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 EP disclosed
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2021-03-04 US disclosed
US-10793568-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2020-10-06 US disclosed
US-20190233420-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. 2019-08-01 US disclosed
US-RE47221-E1 Tricyclic compounds ABBVIE INC. (US) 2019-02-05 US disclosed
CN-109053742-A New tricyclic compound ABBVIE 公司 2018-12-21 CN disclosed
CN-108774237-A New tricyclic compound ABBVIE 公司 2018-11-09 CN disclosed
US-20030004359-A1 Processes for producing tetrahydropyranyl-4-sulfonates and 4-aminotetrahydropyran compound UBE INDUSTRIES, LTD. (JP) 2003-01-02 US disclosed
US-20030004359-A1 Processes for producing tetrahydropyranyl-4-sulfonates and 4-aminotetrahydropyran compound UBE INDUSTRIES, LTD. (JP) 2003-01-02 US disclosed
US-20030004359-A1 Processes for producing tetrahydropyranyl-4-sulfonates and 4-aminotetrahydropyran compound UBE INDUSTRIES, LTD. (JP) 2003-01-02 US disclosed
EP-1247807-A1 PROCESSES FOR PRODUCING TETRAHYDROPYRANYL-4-SULFONATE AND 4-AMINOTETRAHYDROPYRAN COMPOUND Ube Industries, Ltd. (JP) 2002-10-09 EP disclosed
EP-1247807-A1 PROCESSES FOR PRODUCING TETRAHYDROPYRANYL-4-SULFONATE AND 4-AMINOTETRAHYDROPYRAN COMPOUND Ube Industries, Ltd. (JP) 2002-10-09 EP disclosed
JP-2001226370-A METHOD FOR PRODUCING 4-AMINOTETRAHYDROPYRANE DERIVATIVE UBE IND LTD 2001-08-21 JP disclosed
JP-2001163867-A METHOD FOR PRODUCING TETRAHYDROPYRANYL-4-SULFONATE UBE IND LTD 2001-06-19 JP disclosed
WO-2001042232-A1 PROCESSES FOR PRODUCING TETRAHYDROPYRANYL-4-SULFONATE AND 4-AMINOTETRAHYDROPYRAN COMPOUND UBE INDUSTRIES, LTD. (JP) 2001-06-14 WO 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 (4 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-20030004359-A1 Processes for producing tetrahydropyranyl-4-sulfonates and 4-aminotetrahydropyran compound HPD, DHPS, FDPS TSHR 4244/4885LMNA 4733/4885CYP3A4 14/4885
US-10793568-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R TSHR 19/4885LMNA 4360/4885CYP3A4 949/4885
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 TSHR 3292/4885LMNA 2521/4885CYP3A4 11/4885
US-20190233420-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R TSHR 19/4885LMNA 4360/4885CYP3A4 949/4885

“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.