SCHEMBL4631447

SCHEMBL4631447

CCCCCCN(Cc1ccccc1)C(=O)CCc1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.64
CNR2 P34972 1/20 0.60
CA12 O43570 6/20 0.59
CA1 P00915 6/20 0.59
CA2 P00918 6/20 0.59
CA4 P22748 2/20 0.59
ESR1 P03372 2/20 0.51
ADRA2A P08913 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TACR2 P21452 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
SHBG P04278 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
HSPD1 P10809 1/20 0.51

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
SCHEMBL28267670 0.88 ESR1 (0.62) LTB4R2CA12CA1CA2CA4
SCHEMBL3455343 0.85 LTB4R2 (0.60) LTB4R2CNR2CA12CA1CA2
SCHEMBL9327545 0.82 CNR2 (0.61) LTB4R2CNR2CA12CA1CA2
SCHEMBL4629865 0.82 LTB4R2 (0.63) LTB4R2CNR2CA12CA1CA2
SCHEMBL7196496 0.81 ALDH1A1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7200876 0.81 ALDH1A1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL22023396 0.81 CNR2 (0.67) LTB4R2CNR2CA12CA1CA2
SCHEMBL11135720 0.80 KCNH2 (0.60) CNR2CA12CA1CA2CA4
SCHEMBL7197800 0.80 ALDH1A1 (0.62) CA12CA1CA2CA4ESR1
SCHEMBL14362172 0.80 DPP4 (0.54) ALOX5

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
EP-1517883-B8 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-05-21 EP disclosed
US-7355069-B2 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB (SE) 2008-04-08 US disclosed
EP-1517883-B1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-02-13 EP disclosed
CN-1319938-C Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB R & D HEADQUART (SE) 2007-06-06 CN disclosed
US-20050256198-A1 Ortho-substituted benzoic acid derivatives for the treatmetn of insulin resistance ASTRAZENECA AB (SE) 2005-11-17 US disclosed
CN-1675171-A Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB R & D HEADQUART (SE) 2005-09-28 CN disclosed
EP-1517883-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE AstraZeneca AB (SE) 2005-03-30 EP disclosed
WO-2004000790-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2003-12-31 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-20050256198-A1 Ortho-substituted benzoic acid derivatives for the treatmetn of insulin resistance GPR119, INSR, IRS1 LTB4R2 4236/4885CNR2 854/4885CA12 3994/4885

“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.