SCHEMBL6357624

SCHEMBL6357624

CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.52
CA9 Q16790 5/20 0.52
CA1 P00915 3/20 0.52
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SERPINE1 P05121 4/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AKR1C2 P52895 2/20 0.48
AKR1C1 Q04828 2/20 0.48
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45

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
SCHEMBL6349618 0.85 SERPINE1 (0.53) CA12CA9CA1SERPINE1AKR1C2
Hydrochloric Acid SCHEMBL6346555 0.84 SERPINE1 (0.52) CA12CA9CA1SERPINE1AKR1C2
Hydrochloric Acid SCHEMBL6358891 0.84 SERPINE1 (0.52) CA12CA9CA1SERPINE1AKR1C2
SCHEMBL6349448 0.83 CA9 (0.67) CA12CA9CA1RAB9ASERPINE1
SCHEMBL6349508 0.81 AKR1C2 (0.49) CA12CA9CA1LMNASERPINE1
SCHEMBL6921175 0.80 SERPINE1 (0.49) CA12CA9CA1LMNASERPINE1
SCHEMBL34463904 0.80 HCAR3 (0.64) CA12CA9CA1RAB9AALDH1A1
SCHEMBL6359043 0.76 CA12 (0.47) CA12CA9CA1LMNAMAPT
SCHEMBL6349527 0.76 ALDH1A1 (0.61) LMNANPC1HTTRAB9ATDP1
SCHEMBL6352674 0.72 PPARG (0.53) LMNAMAPTMAPK1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US disclosed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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 (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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 CA12 3717/4885CA9 2085/4885CA1 4266/4885

“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.