SCHEMBL1044088

SCHEMBL1044088

O=C(O)CCC(=O)Nc1ccc2c(S(=O)(=O)O)cccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.51
▸ KMT2A Q03164 3/20 0.49
▸ POLB P06746 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ HTR6 P50406 4/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HSD17B1 P14061 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSD17B2 P37059 1/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL11671022 0.83 KDM4E (0.61) CYP1A2KMT2APOLBCA1CA2
SCHEMBL8784533 0.79 CASP6 (0.59) CYP1A2KMT2APOLBHSD17B1HSD17B2
SCHEMBL6240037 0.78 FGF1 (0.48) KMT2AMEN1L3MBTL1KDM4EALDH1A1
SCHEMBL13990189 0.77 CYP1A2 (1.00) CYP1A2NPSR1KMT2APOLBCYP2C19
SCHEMBL8115834 0.77 NT5E (0.67) CYP1A2KMT2APOLBCA12CA1
SCHEMBL10621974 0.76 TGM2 (0.49) CASP6
SCHEMBL12412510 0.75 CYP1A2 (0.56) CYP1A2NPSR1KMT2APOLBCYP3A4
SCHEMBL7223229 0.75 CASP6 (0.55) CYP1A2KMT2APOLBCA12CA1
SCHEMBL9219483 0.75 TNNI3 (0.65) KMT2APOLBHTR6CYP3A4MEN1
SCHEMBL11204164 0.74 POLB (0.45) CYP1A2POLBCA12CA1CA2

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-8182790-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-05-22 — — US disclosed
EP-1814598-B1 CONTRAST AGENTS TO TARGET EXTRACELLULAR MATRIX GE HEALTHCARE AS (NO) 2011-01-12 — — EP disclosed
EP-2243496-A2 Contrast agents to target extracellular matrix GE HEALTHCARE AS (NO) 2010-10-27 — — EP disclosed
US-20090208412-A1 Contrast Agents GE HEALTHCARE AS (NO) 2009-08-20 — — US disclosed
EP-1814598-A2 CONTRAST AGENTS TO TARGET EXTRACELLULAR MATRIX GE Healthcare AS (NO) 2007-08-08 — — EP disclosed
WO-2006054904-A2 CONTRAST AGENTS TO TARGET EXTRACELLULAR MATRIX GE HEALTHCARE AS (NO) 2006-05-26 — — 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-20090208412-A1 Contrast Agents COL2A1, COL1A1, COL14A1 CYP1A2 1635/4885NPSR1 2387/4885KMT2A 3540/4885

“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.

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