SCHEMBL2746372

SCHEMBL2746372

N=C(N)N(N)c1ccc(CC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
ITGB3 P05106 3/20 0.45
ITGA2B P08514 3/20 0.45
AKR1B1 P15121 1/20 0.45
FFAR1 O14842 1/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.44
ABCC4 O15439 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 1/20 0.44
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
C1S P09871 1/20 0.42
PRSS3 P35030 1/20 0.42
ANPEP P15144 1/20 0.41
ENPEP Q07075 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
SCHEMBL4104359 0.81 NR1H4 (0.52) CA2CAMK2AITGB3ITGA2BAKR1B1
SCHEMBL8628714 0.76 CA2 (0.41) CA2CAMK2AITGB3ITGA2BAKR1B1
SCHEMBL2746643 0.76 TSHR (0.48) CA2TSHRF2PRSS1PRSS2
SCHEMBL5270823 0.75 AKR1B1 (0.55) CA2CAMK2AITGB3ITGA2BAKR1B1
SCHEMBL6940225 0.73 ITGB3 (0.73) CA2CAMK2AITGB3ITGA2BAKR1B1
SCHEMBL69614 0.73 CA2 (0.79) CA2CAMK2AAKR1B1FFAR1LMNA
SCHEMBL6833465 0.73 CA2 (0.48) CA2CAMK2AITGB3ITGA2BAKR1B1
Phenylacetic Acid SCHEMBL27804643 0.72 AKR1B1 (0.77) CA2CAMK2AITGB3ITGA2BAKR1B1
SCHEMBL23582819 0.72 CA2 (0.67) CA2CAMK2AAKR1B1FFAR1LMNA
SCHEMBL8935046 0.72 ALDH1A1 (0.50) GAAF2PRSS1PRSS2C1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178516-B2 Composition of 4-guanidinobenzoic acid HCl, a co-agent suitable for systemic administration solely via the oral route, antioxidants, vitamins, metabolites Sylvan Labs, LLC (US) 2012-05-15 US disclosed
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 US disclosed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 US disclosed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 EP disclosed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP disclosed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 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 (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-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases PCCA, HMGB1, PTGES CA2 1000/4885CAMK2A 3069/4885ITGB3 2716/4885
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases HMGB1, PCCA, QSOX1 CA2 1023/4885CAMK2A 2897/4885ITGB3 2619/4885

“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.