SCHEMBL10745083

SCHEMBL10745083

CCCCCC(CC)S(=O)(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
OPRM1 P35372 1/20 0.36
CA1 P00915 9/20 0.35
CA2 P00918 8/20 0.35
CA9 Q16790 7/20 0.35
FDPS P14324 4/20 0.35
NR1I2 O75469 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
CA12 O43570 3/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL14627179 0.98 TP53 (0.41) TP53CA1CA2CA9FDPS
SCHEMBL20084326 0.93 TSHR (0.38) TP53CA1CA2FDPS
SCHEMBL14892962 0.88 TP53 (0.43) TP53OPRM1CA1CA2CA9
SCHEMBL3664636 0.88 TP53 (0.43) TP53CA1CA2CA9FDPS
SCHEMBL14641579 0.86 DNM1 (0.42) TP53CA1CA2CA9FDPS
SCHEMBL3627346 0.84 TP53 (0.41) TP53CA1CA2CA9FDPS
SCHEMBL6113349 0.83 CA12 (0.37) CA1CA2CA12CA7CA14
SCHEMBL27289489 0.83 TP53 (0.37) TP53CA1CA2CA9FDPS
SCHEMBL22588952 0.83
SCHEMBL7102291 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111187193-B Preparation method of rubber additive 1, 6-di (N, N-dibenzylcarbamyl disulfide) hexane 山东阳谷华泰化工股份有限公司 2022-04-15 CN disclosed
US-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds NOVARTIS AG (CH) 2011-07-14 US disclosed
US-4701565-A REACTING ALCOHOL WITH ORGANIC SULFONYL HALIDE TO FORM SULFONATE, REACTING SULFONATE WITH A PHENOL FUJI PHOTO FILM CO., LTD. (JP) 1987-10-20 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-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 TP53 1413/4885OPRM1 4408/4885CA1 2009/4885

“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.