SCHEMBL7168901

SCHEMBL7168901

CCOC(=O)c1cc(C)n(-c2cccc(I)c2)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.46
NOTUM Q6P988 1/20 0.46
LMNA P02545 5/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 5/20 0.45
TP53 P04637 5/20 0.45
TSHR P16473 3/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 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
SCHEMBL7166777 0.89 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NOTUMLMNARAB9A
SCHEMBL7165573 0.88 NOTUM (0.53) ALDH1A1SMN1; SMN2NOTUMLMNARAB9A
SCHEMBL7168695 0.87 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAMAPTTP53
SCHEMBL7171864 0.87 GABRA2 (0.55) ALDH1A1SMN1; SMN2NOTUMLMNARAB9A
SCHEMBL3493852 0.86 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NOTUMLMNARAB9A
SCHEMBL7166626 0.86 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NOTUMLMNARAB9A
SCHEMBL3491845 0.86 NOTUM (0.57) ALDH1A1SMN1; SMN2NOTUMLMNAMAPT
SCHEMBL7169434 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2NOTUMLMNAMAPT
SCHEMBL7166760 0.86 NOTUM (0.55) ALDH1A1SMN1; SMN2NOTUMLMNARAB9A
SCHEMBL27514687 0.85 NOTUM (0.52) ALDH1A1NOTUMMAPTGAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030013754-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-01-16 US claimed
EP-1244620-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-10-02 EP claimed
WO-2001047880-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 WO claimed
US-6569890-B2 Antiinflamamtory agents ICOS CORPORATION 2003-05-27 US disclosed
US-20030013754-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-01-16 US disclosed
EP-1244620-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-10-02 EP disclosed
US-6372777-B1 ENZYME INHIBITORS TREATMENT OF INFLAMMATORY DISEASES AND OTHER DISEASES INVOLVING ELEVATED LEVELS OF CYTOKINES, AS WELL AS CENTRAL NERVOUS SYSTEM (CNS) DISORDERS, ICOS CORPORATION 2002-04-16 US disclosed
WO-2001047880-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 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-20030013754-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE4C ALDH1A1 1410/4885SMN1; SMN2 1296/4885NOTUM 1170/4885

“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.