SCHEMBL3756910

SCHEMBL3756910

CC(C)(C)OC(=O)NCC#CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.48
MMP13 P45452 1/20 0.48
ADAM17 P78536 1/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
PTPN11 Q06124 1/20 0.44
MGLL Q99685 2/20 0.44
ADRA2A P08913 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
P2RY6 Q15077 1/20 0.44
PTGS2 P35354 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL15807639 0.85 PTPN11 (0.62) MMP1MMP13MAPTALDH1A1CYP1A2
SCHEMBL5402398 0.82 CA12 (0.65) MAPTALDH1A1CYP1A2CA12CA1
SCHEMBL3666693 0.82 ALDH1A1 (0.49) MMP1MMP13ADAM17ALDH1A1KDM4E
SCHEMBL6183257 0.81 CA12 (0.66) MAPTALDH1A1CYP1A2KDM4ECA12
SCHEMBL17162067 0.81 CA12 (0.57) MAPTALDH1A1CYP1A2CA12CA1
SCHEMBL30693811 0.81 CA12 (0.57) MAPTALDH1A1CYP1A2CA12CA1
SCHEMBL25987728 0.81 CA12 (0.57) MAPTALDH1A1CYP1A2CA12CA1
SCHEMBL25987718 0.80 CA12 (0.67) MAPTALDH1A1CA12CA1CA2
SCHEMBL26185842 0.78 MAOB (0.58) MAPTALDH1A1CYP1A2CA12CA1
SCHEMBL14907652 0.78 MGLL (0.67) MAPTCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
US-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 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-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents TNF, CS, COASY MMP1 634/4885MMP13 1427/4885ADAM17 753/4885

“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.