SCHEMBL420884

SCHEMBL420884

Cc1cc(C)cc(S(=O)(=O)NN)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CASP6 P55212 1/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
FFAR4 Q5NUL3 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
TSHR P16473 1/20 0.38
ACLY P53396 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
SCHEMBL418539 0.79 KMT2A (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2055346 0.78 SMN1; SMN2 (0.60) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL250755 0.76 GAA (0.64) CYP1A2KMT2AMEN1GFERALDH1A1
SCHEMBL9091 0.76 GAA (0.64) CYP1A2KMT2AMEN1GFERALDH1A1
SCHEMBL11526686 0.76 CYP1A2 (0.50) CYP1A2KMT2AMEN1CASP6GFER
SCHEMBL422151 0.74 CA1 (0.63) KMT2AMEN1GFERALDH1A1SMN1; SMN2
Water SCHEMBL27947230 0.74 SMN1; SMN2 (0.61) CYP1A2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL13829217 0.74 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AALDH1A1
SCHEMBL28554322 0.74 SMN1; SMN2 (0.61) CYP1A2KMT2AMEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4639536 0.74 SMN1; SMN2 (0.61) CYP1A2KMT2AMEN1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115065-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with Arenaviruses Kineta, Inc. (US) 2015-08-25 US disclosed
US-20140378681-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS,PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES INC. (US) 2014-12-25 US disclosed
US-8410149-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES INC. (US) 2013-04-02 US disclosed
WO-2012060820-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2012-05-10 WO disclosed
US-20120022027-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES INC. (US) 2012-01-26 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 (2 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-20140378681-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS,PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES GBA1, GK, GCK CYP1A2 4380/4885SLC1A3 4324/4885SLC1A2 4638/4885
US-20120022027-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES GBA1, GK, GCK CYP1A2 4380/4885SLC1A3 4324/4885SLC1A2 4638/4885

“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.