SCHEMBL652346

SCHEMBL652346

O=[N+]([O-])c1cc(S)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 6/20 0.39
MAPT P10636 6/20 0.39
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
CTSB P07858 1/20 0.39
GAA P10253 1/20 0.39
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37

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
SCHEMBL28720537 0.77 TSHR (0.48) ALDH1A1MAPTGAAGABRA1GABRG2
SCHEMBL3862889 0.75 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL19791860 0.75 TDP1 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL30413609 0.75 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5700377 0.75 GABRA1 (0.37) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL7985686 0.75 GABRA1 (0.37) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL826540 0.75 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL7697285 0.75 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTGABRA1
SCHEMBL3614808 0.75 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL29736537 0.75 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195329-B1 METHOD FOR CHEMICAL SYNTHESIS OF POLYPEPTIDES AND PROTEINS IPSEN PHARMA SAS (FR) 2013-11-06 EP claimed
US-8404804-B2 Methods and intermediates for chemical synthesis of polypeptides and proteins IPSEN PHARMA S.A.S. (FR) 2013-03-26 US claimed
US-20100234564-A1 METHODS AND INTERMEDIATES FOR CHEMICAL SYNTHESIS OF POLYPEPTIDES AND PROTEINS IPSEN PHARMA S.A.S. (FR) 2010-09-16 US claimed
US-20100204449-A1 METHODS AND INTERMEDIATES FOR CHEMICAL SYNTHESIS OF POLYPEPTIDES AND PROTEINS IPSEN PHARMA S.A.S. (FR) 2010-08-12 US claimed
EP-2197895-A2 METHODS AND INTERMEDIATES FOR CHEMICAL SYNTHESIS OF POLYPEPTIDES AND PROTEINS IPSEN PHARMA S.A.S. (FR) 2010-06-23 EP claimed
EP-2195329-A2 METHODS AND INTERMEDIATES FOR CHEMICAL SYNTHESIS OF POLYPEPTIDES AND PROTEINS IPSEN PHARMA S.A.S. (FR) 2010-06-16 EP claimed
WO-2009032181-A2 METHODS AND INTERMEDIATES FOR CHEMICAL SYNTHESIS OF POLYPEPTIDES AND PROTEINS IPSEN PHARMA S.A.S. (FR) 2009-03-12 WO claimed
WO-2009032133-A2 METHODS AND INTERMEDIATES FOR CHEMICAL SYNTHESIS OF POLYPEPTIDES AND PROTEINS IPSEN PHARMA S.A.S. (FR) 2009-03-12 WO claimed
US-6875594-B2 Methods of ligating expressed proteins THE ROCKEFELLER UNIVERSITY (US) 2005-04-05 US claimed
US-20020151006-A1 Methods of ligating expressed proteins MUIR TOM W (US) 2002-10-17 US claimed
EP-0832096-B1 SYNTHESIS OF PROTEINS BY NATIVE CHEMICAL LIGATION SCRIPPS RESEARCH INST (US) 2001-07-18 EP claimed
US-6184344-B1 Synthesis of proteins by native chemical ligation THE SCRIPPS RESEARCH INSTITUTE 2001-02-06 US claimed
EP-0832096-A4 SYNTHESIS OF PROTEINS BY NATIVE CHEMICAL LIGATION SCRIPPS RESEARCH INST (US) 1998-08-05 EP claimed
EP-0832096-A1 SYNTHESIS OF PROTEINS BY NATIVE CHEMICAL LIGATION The Scripps Research Institute (US) 1998-04-01 EP claimed
WO-1996034878-A1 SYNTHESIS OF PROTEINS BY NATIVE CHEMICAL LIGATION THE SCRIPPS RESEARCH INSTITUTE (US) 1996-11-07 WO claimed
US-11919921-B2 Galactoside inhibitor of galectins GALECTO BIOTECH AB (DK) 2024-03-05 US disclosed
US-20220289783-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2022-09-15 US disclosed
EP-0832096-A4 SYNTHESIS OF PROTEINS BY NATIVE CHEMICAL LIGATION SCRIPPS RESEARCH INST (US) 1998-08-05 EP disclosed
EP-0832096-A1 SYNTHESIS OF PROTEINS BY NATIVE CHEMICAL LIGATION The Scripps Research Institute (US) 1998-04-01 EP disclosed
WO-1996034878-A1 SYNTHESIS OF PROTEINS BY NATIVE CHEMICAL LIGATION THE SCRIPPS RESEARCH INSTITUTE (US) 1996-11-07 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-11919921-B2 Galactoside inhibitor of galectins LGALS3, LGALS1, LGALS2 MEN1 2886/4885KMT2A 3585/4885ALDH1A1 1974/4885
US-20220289783-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS2 MEN1 3155/4885KMT2A 3920/4885ALDH1A1 1785/4885
US-20100204449-A1 METHODS AND INTERMEDIATES FOR CHEMICAL SYNTHESIS OF POLYPEPTIDES AND PROTEINS PTMS, TMT1A, MTR MEN1 2187/4885KMT2A 612/4885ALDH1A1 2619/4885
US-20100234564-A1 METHODS AND INTERMEDIATES FOR CHEMICAL SYNTHESIS OF POLYPEPTIDES AND PROTEINS PTMS, RNGTT, MTR MEN1 1118/4885KMT2A 392/4885ALDH1A1 3245/4885

“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.