SCHEMBL2465239

SCHEMBL2465239

O=S(=O)(Nc1cc(Sc2ccccc2)c(O)c2ccccc12)c1ccc(F)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.73
▸ MCL1 Q07820 9/20 0.71
▸ HKDC1 Q2TB90 5/20 0.71
▸ KEAP1 Q14145 5/20 0.71
▸ NFE2L2 Q16236 5/20 0.71
▸ HK1 P19367 2/20 0.71
▸ MEN1 O00255 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ RAB9A P51151 3/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ MAPT P10636 2/20 0.65
▸ THRB P10828 2/20 0.65
▸ HTT P42858 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ HTR1A P08908 1/20 0.65
▸ PKM P14618 1/20 0.65
▸ HPGD P15428 1/20 0.65
▸ XBP1 P17861 1/20 0.65
▸ PTBP1 P26599 1/20 0.65

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
SCHEMBL2459723 0.91 STAT3 (0.73) STAT3MCL1HKDC1KEAP1NFE2L2
SCHEMBL13509738 0.88 STAT3 (0.70) STAT3MCL1HKDC1KEAP1NFE2L2
SCHEMBL13509688 0.88 MCL1 (0.71) STAT3MCL1HKDC1KEAP1NFE2L2
SCHEMBL13509686 0.88 MCL1 (0.71) STAT3MCL1HKDC1KEAP1NFE2L2
SCHEMBL13509685 0.88 MCL1 (0.71) STAT3MCL1HKDC1KEAP1NFE2L2
SCHEMBL13509754 0.87 BRAF (0.69) STAT3MCL1HKDC1KEAP1NFE2L2
SCHEMBL13509784 0.87 MCL1 (0.73) STAT3MCL1HKDC1KEAP1NFE2L2
SCHEMBL13509739 0.85 STAT3 (0.66) STAT3MCL1HKDC1KEAP1NFE2L2
SCHEMBL13509787 0.85 STAT3 (0.66) STAT3MCL1HKDC1KEAP1NFE2L2
SCHEMBL2463312 0.85 MCL1 (0.72) STAT3MCL1HKDC1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 — — WO claimed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 — — WO claimed
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2019-01-24 — — US disclosed
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 — — US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 — — US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 — — US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 — — US disclosed
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 — — WO disclosed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 — — 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-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 STAT3 1622/4885MCL1 59/4885HKDC1 3786/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 STAT3 1622/4885MCL1 59/4885HKDC1 3786/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 STAT3 1622/4885MCL1 59/4885HKDC1 3786/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 STAT3 1622/4885MCL1 59/4885HKDC1 3786/4885

“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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