SCHEMBL12793000

SCHEMBL12793000

O=S(=O)(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.73
POLB P06746 5/20 0.73
KDM4E B2RXH2 2/20 0.73
USP2 O75604 2/20 0.71
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
HPGD P15428 1/20 0.64
CYP2C19 P33261 1/20 0.64
NAMPT P43490 1/20 0.63
LMNA P02545 1/20 0.60
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GAA P10253 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL12792999 0.86 ALDH1A1 (0.97) ALDH1A1POLBKDM4EUSP2CYP1A2
SCHEMBL12793019 0.83 ALDH1A1 (1.00) ALDH1A1POLBKDM4EUSP2LMNA
SCHEMBL7096080 0.82 USP2 (0.80) ALDH1A1POLBKDM4EUSP2LMNA
SCHEMBL4554939 0.82 USP2 (0.80) ALDH1A1POLBKDM4EUSP2LMNA
SCHEMBL3236916 0.81 MAPT (0.80) ALDH1A1POLBKDM4EUSP2HPGD
SCHEMBL5363222 0.80 KMT2A (0.59) ALDH1A1POLBKDM4EUSP2CYP1A2
SCHEMBL12793023 0.78 ALDH1A1 (0.70) ALDH1A1POLBKDM4EUSP2HPGD
SCHEMBL164751 0.78 NAMPT (1.00) ALDH1A1NAMPTMAPTMEN1KMT2A
SCHEMBL423283 0.77 MAPT (0.74) ALDH1A1POLBUSP2HPGDMAPT
SCHEMBL27898881 0.77 ALDH1A1 (0.60) ALDH1A1POLBKDM4EUSP2NAMPT

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
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
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
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
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
EP-2258356-A2 CHEMICAL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST DENGUE VIRUS AND OTHER FLAVIVIRUSES Centro De Ingenieria Genetica Y Biotecnologia (CU) 2010-12-08 EP disclosed
WO-2009106019-A2 CHEMICAL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST DENGUE VIRUS AND OTHER FLAVIVIRUSES CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2009-09-03 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 (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 ALDH1A1 1589/4885POLB 1092/4885KDM4E 1167/4885

“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.