SCHEMBL5367299

SCHEMBL5367299

CCCCCCC(C)C(=O)NCc1cccc(-c2ccc(Oc3ccccc3C(=O)O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PLG P00747 1/20 0.41

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
SCHEMBL5359079 0.90 ERAP2 (0.42) PTPN11ERAP2ERAP1LNPEPTSHR
SCHEMBL6279383 0.90 TSHR (0.46) PTPN11PSEN1PSEN2APH1BNCSTN
SCHEMBL5360875 0.84 PTPN11 (0.44) PTPN11ERAP2ERAP1LNPEPALDH1A1
SCHEMBL5361015 0.83 KCNB1 (0.44) PTPN11ERAP2ERAP1LNPEPALDH1A1
SCHEMBL5354737 0.82 KCNB1 (0.43) PTPN11ERAP2ERAP1LNPEPALDH1A1
SCHEMBL5371481 0.81 KCNB1 (0.42) PTPN11ERAP2ERAP1LNPEPTSHR
SCHEMBL5374062 0.80 ERAP2 (0.42) PTPN11ERAP2ERAP1LNPEPRAB9A
SCHEMBL6186242 0.79 PPARG (0.53) PTPN1
SCHEMBL5360954 0.79 ALOX15 (0.42) PTPN11ERAP2ERAP1LNPEPTSHR
SCHEMBL5355836 0.77 KCNB1 (0.40) PTPN11ERAP2ERAP1LNPEPTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307078-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-11 US claimed
US-7125869-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-10-24 US claimed
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-12 US claimed
EP-1572629-A1 COMPOUNDS WHICH MODULATE PPARϝ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-14 EP claimed
WO-2004052840-A1 COMPOUNDS WHICH MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-24 WO claimed
US-7307078-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-11 US disclosed
US-20070093487-A1 2-[3'-({[6-(2-Methoxyethoxymethoxy)naphthalene-2-carbonyl]methylamino}methyl)biphenyl-4-ylamino]methyl benzoate; dermatology, cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism, cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-04-26 US disclosed
US-7125869-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-10-24 US disclosed
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-12 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 (2 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-20070093487-A1 2-[3'-({[6-(2-Methoxyethoxymethoxy)naphthalene-2-carbonyl]methylamino}methyl)biphenyl-4-ylamino]methyl benzoate; dermatology, cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism, cosmetics MITF, AHR, PAH PTPN11 847/4885PSEN1 1462/4885PSEN2 814/4885
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA PTPN11 686/4885PSEN1 1349/4885PSEN2 1779/4885

“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.