SCHEMBL2448076

SCHEMBL2448076

CCCC(CC)S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.51
MMP13 P45452 7/20 0.51
MMP7 P09237 4/20 0.51
MMP12 P39900 4/20 0.51
ACE P12821 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
PSIP1 O75475 1/20 0.47
TDP1 Q9NUW8 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
CCR5 P51681 1/20 0.39
HTR6 P50406 1/20 0.38
HSD11B1 P28845 1/20 0.38
ATM Q13315 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 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
SCHEMBL28820920 0.92 MMP1 (0.54) MMP1MMP13MMP7MMP12ACE
SCHEMBL25000902 0.89 MMP1 (0.64) MMP1MMP13MMP7MMP12ACE
SCHEMBL2443658 0.88 PSIP1 (0.54) MMP1MMP13MMP7MMP12ACE
SCHEMBL6322367 0.83 CA2 (0.51) MMP1MMP13SMN1; SMN2MMP2MMP9
SCHEMBL19201578 0.81 MMP1 (0.50) MMP1MMP13SMN1; SMN2MMP2MMP9
SCHEMBL27547065 0.81 PSIP1 (0.47) MMP1MMP13MMP7MMP12ACE
Phosphonic Acid SCHEMBL5581864 0.81 MMP1 (0.48) MMP1MMP13MMP7MMP12ACE
SCHEMBL19559254 0.80 SMN1; SMN2 (0.44) MMP1MMP13MMP7MMP12ACE
SCHEMBL11759072 0.78 MMP1 (0.50) MMP1MMP13MMP7MMP12ACE
SCHEMBL11759058 0.78 MMP1 (0.50) MMP1MMP13MMP7MMP12ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078969-A1 Nrf2 Activating Compounds and Uses Thereof MIDCAP FINANCIAL TRUST 2021-03-18 US disclosed
CN-103509135-B Olefin polymerization catalyst component, preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2015-07-22 CN disclosed
US-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP 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-20210078969-A1 Nrf2 Activating Compounds and Uses Thereof NFE2L2, KEAP1, NQO1 MMP1 3968/4885MMP13 3342/4885MMP7 3816/4885
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA MMP1 3392/4885MMP13 905/4885MMP7 4001/4885

“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.