SCHEMBL12519994

SCHEMBL12519994

CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.80
▸ GAA P10253 3/20 0.66
▸ HTT P42858 2/20 0.66
▸ LMNA P02545 1/20 0.66
▸ ALDH1A1 P00352 4/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ PKM P14618 2/20 0.62
▸ TSHR P16473 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ POLB P06746 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL2706987 0.98 USP2 (0.76) USP2GAAHTTLMNAALDH1A1
SCHEMBL18484219 0.84 KMT2A (0.86) USP2GAAHTTLMNAALDH1A1
SCHEMBL3812763 0.84 KMT2A (0.86) USP2GAAHTTLMNAALDH1A1
SCHEMBL5198775 0.84 USP2 (0.80) USP2GAAHTTLMNAALDH1A1
SCHEMBL5564371 0.84 KMT2A (0.86) USP2GAAHTTLMNAALDH1A1
SCHEMBL7645597 0.84 KMT2A (0.86) USP2GAAHTTLMNAALDH1A1
SCHEMBL15945283 0.84 KMT2A (0.86) USP2GAAHTTLMNAALDH1A1
SCHEMBL12793726 0.82 ALDH1A1 (0.72) USP2GAAHTTLMNAALDH1A1
SCHEMBL436674 0.82 PKM (0.89) USP2GAAHTTLMNAALDH1A1
SCHEMBL16442322 0.81 MAPT (0.69) USP2HTTALDH1A1PKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727250-A Piperidines AMPK agonists and its medical usage 中国药科大学 2018-11-02 — — CN disclosed
EP-2258356-B1 CHEMICAL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST DENGUE VIRUS AND OTHER FLAVIVIRUSES CT INGENIERIA GENETICA BIOTECNOLOGIA (CU) 2017-09-27 — — EP disclosed
US-8722742-B2 Chemical compounds having antiviral activity against Dengue virus and other Flaviviruses CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2014-05-13 — — US disclosed
WO-2013007768-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 — — WO disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 — — WO disclosed
US-20110065686-A1 CHEMICAL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST DENGUE VIRUS AND OTHER FLAVIVIRUSES CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2011-03-17 — — 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-20110065686-A1 CHEMICAL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST DENGUE VIRUS AND OTHER FLAVIVIRUSES MAVS, EIF2AK2, ZC3HAV1 USP2 2696/4885GAA 1687/4885HTT 4364/4885

“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.

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