SCHEMBL8243668

SCHEMBL8243668

CC(=O)c1cc(I)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.45
▸ PTPRC P08575 1/20 0.44
▸ PTPN2 P17706 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ PTPRA P18433 1/20 0.44
▸ PTPRB P23467 1/20 0.44
▸ PTPRE P23469 1/20 0.44
▸ PTPN6 P29350 1/20 0.44
▸ CYP17A1 P05093 2/20 0.40
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KCNQ4 P56696 1/20 0.37
▸ KCNQ5 Q9NR82 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL30517876 0.88 PTPRC (0.59) RXFP1PTPRCPTPN2PTPN1PTPRA
SCHEMBL3895050 0.88 PTPRC (0.59) RXFP1PTPRCPTPN2PTPN1PTPRA
SCHEMBL18522602 0.84 HPGD (0.46) RXFP1PTPRCPTPN2PTPN1PTPRA
SCHEMBL557858 0.82 SMN1; SMN2 (0.46) RXFP1CYP17A1POLBKCNQ4KCNQ5
SCHEMBL12715634 0.82 KCNQ4 (0.40) RXFP1CYP17A1POLBKCNQ4KCNQ5
SCHEMBL22368123 0.81 PTPRC (0.39) RXFP1PTPRCPTPN2PTPN1PTPRA
SCHEMBL5868826 0.81 AAK1 (0.46) RXFP1CYP17A1LMNAPOLBGAA
SCHEMBL9610070 0.81 RAB9A (0.41) RXFP1CYP17A1KCNQ4KCNQ5ATR
SCHEMBL478362 0.81 CYP17A1 (0.52) RXFP1CYP17A1KCNQ4KCNQ5GAA
SCHEMBL29659087 0.81 CYP17A1 (0.52) RXFP1CYP17A1KCNQ4KCNQ5GAA

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-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 — — US disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 — — US disclosed
WO-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 — — 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-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) PDE4A, PDE4B, PDE3B RXFP1 299/4885PTPRC 3729/4885PTPN2 3101/4885

“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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