SCHEMBL1449907

SCHEMBL1449907

CS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(=O)CC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
ABCB1 P08183 1/20 0.52
PGR P06401 1/20 0.51
CCR5 P51681 4/20 0.47
HRH3 Q9Y5N1 1/20 0.46
MMP2 P08253 2/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP14 P50281 1/20 0.45
MMP1 P03956 1/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
JAK2 O60674 5/20 0.44
JAK3 P52333 3/20 0.44
TNIK Q9UKE5 1/20 0.43
NPC1 O15118 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
Hydrochloric Acid SCHEMBL1449325 0.86 LTA4H (0.65) LTA4HABCB1PGRCCR5HRH3
SCHEMBL1449837 0.82 LTA4H (0.55) LTA4HABCB1PGRCCR5MMP2
SCHEMBL1449930 0.82 JAK2 (0.59) LTA4HPGRCCR5HRH3MMP2
Hydrochloric Acid SCHEMBL1449244 0.81 JAK2 (0.58) LTA4HPGRCCR5HRH3ALDH1A1
Hydrochloric Acid SCHEMBL1448777 0.81 LTA4H (0.50) LTA4HPGRCCR5MMP2MMP3
SCHEMBL1449247 0.81 LTA4H (0.50) LTA4HPGRCCR5HRH3MMP2
SCHEMBL1449963 0.81 LTA4H (0.50) LTA4HABCB1PGRCCR5MMP2
Hydrochloric Acid SCHEMBL1449895 0.78 NPC1 (0.52) LTA4HCCR5HRH3KDM4EALDH1A1
SCHEMBL9625113 0.78 JAK2 (0.63) LTA4HABCB1HRH3HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6438666 0.77 LTA4H (0.54) LTA4HPGRCCR5HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385040-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO Pharmaceutical Co., Ltd. (JP) 2011-11-09 EP disclosed
EP-2385040-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO Pharmaceutical Co., Ltd. (JP) 2011-11-09 EP disclosed
US-7910741-B2 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-7910741-B2 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-7910741-B2 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-10 US disclosed
EP-1604981-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-14 EP 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-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient HLA-DRB1, ELANE, MMP8 LTA4H 375/4885ABCB1 402/4885PGR 1027/4885

“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.