Sugi Predict

Sugi Predict / Compounds / SCHEMBL1689760

SCHEMBL1689760

SCHEMBL1689760

CC(C)(C)OC(=O)Nc1cc(I)cc(I)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CYP17A1 P05093 3/20 0.42
▸ ACP1 P24666 1/20 0.42
▸ PSMB8 P28062 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ EGLN2 Q96KS0 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ TOP2B Q02880 1/20 0.38
▸ RXFP1 Q9HBX9 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
SCHEMBL22032877 0.89 CA12 (0.39) CA12CA1CA9CYP17A1PSMB8
SCHEMBL3927562 0.89 LCK (0.41) CA12CA1CA9CYP17A1PSMB8
SCHEMBL27799643 0.87 KMT2A (0.47) CA12CA1CA9HDAC3HDAC1
SCHEMBL711197 0.83 HDAC3 (0.50) CA12CA1CA9CYP17A1NAMPT
SCHEMBL29991818 0.83 HDAC3 (0.50) CA12CA1CA9CYP17A1NAMPT
SCHEMBL13499908 0.82 NAMPT (0.48) CA12CA1CA9CYP17A1PSMB8
SCHEMBL21268157 0.82 CA12 (0.39) CA12CA1CA9CYP17A1PSMB8
SCHEMBL718380 0.81 CYP17A1 (0.52) CA12CA1CA9CYP17A1PSMB8
SCHEMBL29178873 0.81 EGLN2 (0.42) CA12CA1CA9CYP17A1PSMB8
SCHEMBL22451793 0.80 CA12 (0.40) CA12CA1CA9CYP17A1PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 — — US disclosed
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 — — US disclosed
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 — — US disclosed
CN-101821226-A Leukotriene b4 inhibitors HOFFMANN LA ROCHE 2010-09-01 — — CN disclosed
EP-2190808-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-06-02 — — EP disclosed
WO-2009024492-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 — — WO disclosed
WO-2009024492-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 — — WO disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 — — US disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 — — US disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 — — 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-20090054466-A1 Leukotriene B4 Inhibitors LTB4R2, LTB4R, LTC4S CA12 4223/4885CA1 4515/4885CA9 3347/4885

“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.