SCHEMBL976003

SCHEMBL976003

C=CCN(CCC)S(N)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.64
CA12 O43570 1/20 0.64
CA2 P00918 1/20 0.64
CA14 Q9ULX7 1/20 0.64
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1079249 0.82 CA2 (0.40) CA1CA12CA2CA14KDM4E
Hydrochloric Acid SCHEMBL11668105 0.80 CA2 (0.39) CA1CA12CA2CA14KDM4E
SCHEMBL42342 0.79 CA1 (1.00) CA1CA12CA2CA14TDP1
SCHEMBL293003 0.75 CA1 (0.80) CA1CA12CA2CA14
SCHEMBL6157438 0.75 ALDH1A1 (0.35) CA1CA12CA2CA14
SCHEMBL293342 0.71 CA1 (0.81) CA1CA12CA2CA14
SCHEMBL19284799 0.71 CA2 (0.46) CA1CA12CA2CA14POLB
SCHEMBL31467577 0.69 RAB9A (0.46) CA1CA12CA2CA14KDM4E
SCHEMBL1654109 0.69
SCHEMBL9741287 0.69 KDM4E (0.35) CA1CA2KDM4EPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2537829-B1 Aminobenzoylsulfonamides and their preparation BASF SE (DE) 2016-03-02 EP disclosed
US-8541611-B2 Bifunctional phenyl iso(thio)cyanates, processes and intermediates products for their preparation BASF AKTIENGESELLSCHAFT (DE) 2013-09-24 US disclosed
EP-2537829-A1 Aminobenzoylsulfamides and their preparation BASF SE (DE) 2012-12-26 EP disclosed
US-20120271049-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES PRODUCTS FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2012-10-25 US disclosed
EP-1560810-B1 BIFUNCTIONAL PHENYLISO(THIO)CYANATES; METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BASF SE (DE) 2012-08-01 EP disclosed
US-8232421-B2 Bifunctional phenyl ISO (THIO) cyanates, processes and intermediates for their preparation BASF AKTIENGESELLSCHAFT (DE) 2012-07-31 US disclosed
US-20110009640-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2011-01-13 US disclosed
US-7820846-B2 by phosgenation of an aminobenzoylsulfamic acid amide intermediate; prepared from a p-nitrobenzoyl chloride or benzoate and a sulfamic acid amide and reducing the nitrobenzoylsulfamic acid amide; isocyanates are crop protection agents BASF AKTIENGESELLSCHAFT (DE) 2010-10-26 US disclosed
US-20060004220-A1 Bifunctional phenyliso(thio)cyanates, processes and intermediates products for their Preparation BASF AKTIENGESELLSCHAFT (DE) 2006-01-05 US disclosed
EP-1560810-A1 BIFUNCTIONAL PHENYLISO(THIO)CYANATES; METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-08-10 EP disclosed
WO-2004039768-A1 BIFUNCTIONAL PHENYLISO(THIO)CYANATES; METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 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 (3 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-20120271049-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES PRODUCTS FOR THEIR PREPARATION TST, IDO1, TMT1A CA1 1083/4885CA12 2054/4885CA2 535/4885
US-20110009640-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION TST, IDO1, IDO2 CA1 1412/4885CA12 2515/4885CA2 694/4885
US-20060004220-A1 Bifunctional phenyliso(thio)cyanates, processes and intermediates products for their Preparation TST, TMT1A, IDO1 CA1 822/4885CA12 1732/4885CA2 415/4885

“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.