SCHEMBL3603937

SCHEMBL3603937

O=C(O)NCCNS(=O)(=O)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.51
MMP9 P14780 3/20 0.51
MMP1 P03956 3/20 0.50
MMP12 P39900 2/20 0.50
GAA P10253 1/20 0.50
USP2 O75604 2/20 0.49
UQCRB P14927 1/20 0.49
ADAMTS4 O75173 1/20 0.48
MMP3 P08254 2/20 0.48
MMP7 P09237 2/20 0.48
MMP13 P45452 2/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL21051622 0.82 USP2 (0.68) MMP2USP2ALDH1A1LMNAKDM4E
SCHEMBL3412674 0.81 MMP1 (0.58) MMP2MMP9MMP1GAAUSP2
SCHEMBL15570115 0.81 ALDH1A1 (0.59) GAAALDH1A1LMNAHPGDKDM4E
SCHEMBL15570538 0.81 ALDH1A1 (0.59) GAAALDH1A1LMNAHPGDKDM4E
SCHEMBL5279179 0.80 HDAC1 (0.64) MMP2MMP9MMP1MMP12GAA
SCHEMBL25340071 0.77 MEN1 (0.62) MMP2MMP9MMP1GAAMMP13
SCHEMBL16187956 0.76 ALDH1A1 (0.63) MMP2MMP9MMP1MMP12GAA
SCHEMBL10907023 0.76 ALDH1A1 (0.58) ALDH1A1LMNAKDM4ESMN1; SMN2POLB
SCHEMBL2013461 0.75 ALDH1A1 (0.54) MMP2MMP9GAAUQCRBALDH1A1
SCHEMBL388620 0.74 MMP2 (0.44) MMP2MMP9MMP1MMP12GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 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 (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-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC MMP2 3123/4885MMP9 4394/4885MMP1 4369/4885

“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.