SCHEMBL13239676

SCHEMBL13239676

NCCC(=O)NCC(F)F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.47
TLR2 O60603 2/20 0.41
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TERT O14746 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TPSAB1 Q15661 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ASAH1 Q13510 1/20 0.30

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
SCHEMBL2034726 0.86 MMP2 (0.34) MMP2HPGDALDH1A1
SCHEMBL13857912 0.81
Hydrochloric Acid SCHEMBL29241555 0.81 MMP2 (0.44) MMP2TLR2CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL13858007 0.79 MMP2 (0.42) MMP2TSHRCYP2C19TERTLMNA
SCHEMBL12363415 0.77 CASP2 (0.47) CYP3A4CYP2C19LMNAHPGDASAH1
SCHEMBL19953940 0.77 HPGD (0.51) MMP2TLR2CYP2D6CYP2C19LMNA
SCHEMBL22123634 0.76 MMP2 (0.46) MMP2TLR2CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL29169433 0.76 HPGD (0.50) MMP2TLR2CYP2D6CYP2C19LMNA
SCHEMBL24391761 0.74 ALDH1A1 (0.45) MMP2CYP2D6CYP2C19LMNAHPGD
SCHEMBL4650825 0.74 CYP2D6 (0.37) MMP2CYP2D6CYP2C19HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 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-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma AKT3, PIK3R3, PIK3CD MMP2 1957/4885TLR2 671/4885CYP3A4 2602/4885

“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.