SCHEMBL6311791

SCHEMBL6311791

O=S(=O)(F)c1c[c]ccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.33
F2 P00734 2/20 0.32
TMPRSS4 Q9NRS4 2/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
PLA2G7 Q13093 1/20 0.31

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
SCHEMBL5923176 0.81 HTR6 (0.48) HTR6TSHRCA1CA2ALDH1A1
SCHEMBL527816 0.77 TSHR (0.52) HTR6TSHRCYP2D6CA1CA2
SCHEMBL28055 0.77 ENPP2 (0.39) HTR6
SCHEMBL11740151 0.77 HTR6 (0.33) HTR6TSHRCA1CA2ALDH1A1
SCHEMBL99048 0.77 CA2 (0.52) TSHRCA1CA2TDP1CA12
SCHEMBL3617107 0.77 ALDH1A1 (0.52) HTR6TSHRAPOBEC3GCA1CA2
SCHEMBL513631 0.77 ALDH1A1 (0.40) HTR6CA2ALDH1A1SMN1; SMN2
SCHEMBL1193472 0.76 TSHR (0.50) HTR6TSHRCYP2D6CA1CA2
SCHEMBL2889562 0.76 HTR6 (0.61) HTR6TSHRCA1CA2ALDH1A1
SCHEMBL11313543 0.76 CA1 (0.35) HTR6TSHRCA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861523-B2 1,3,5- trisubstituted-1,3,5-triazine-2,4,6-trione compounds and libraries TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2005-03-01 US claimed
US-20030186320-A1 1,3,5- trisubstituted-1,3,5-triazine-2,4,6-trione compounds and libraries TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2003-10-02 US claimed
US-20220278371-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING THE SAME CENTRAL GLASS CO., LTD. (JP) 2022-09-01 US disclosed
EP-3993126-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME Central Glass Co., Ltd. (JP) 2022-05-04 EP disclosed
CN-114097123-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same 中央硝子株式会社 2022-02-25 CN disclosed
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 US disclosed
US-4163022-A ANTIPLAQUE AGENTS COOPER LABORATORIES, INC. (US) 1979-07-31 US disclosed
US-4147554-A 5,6-DIHYDRO-PYRROLO(2,1-A)ISOQUINOLINES MITSUBISHI PAPER MILLS, LTD. (JP) 1979-04-03 US disclosed
US-4115448-A Carbamylguanidine antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-09-19 US disclosed
US-4115447-A Carbamylguanidine antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-09-19 US disclosed
US-4110328-A Bis-carbamylguanidinoazaalkane antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-08-29 US disclosed
US-4022962-A DENTAL PLAQUE INHIBITORS COOPER LABORATORIES, INC. (US) 1977-05-10 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-20030186320-A1 1,3,5- trisubstituted-1,3,5-triazine-2,4,6-trione compounds and libraries CDK15, CUL5, UTS2R HTR6 1343/4885F2 2366/4885TMPRSS4 1548/4885

“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.