SCHEMBL7877902

SCHEMBL7877902

NCc1cccc2c1oc1c(CC(=O)O)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.56
STING1 Q86WV6 1/20 0.56
TDP1 Q9NUW8 1/20 0.50
SLC11A2 P49281 1/20 0.44
AKR1B1 P15121 1/20 0.43
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CFD P00746 3/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
F11 P03951 1/20 0.38

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
SCHEMBL1401562 0.84 PARP1 (0.46) GLASTING1TDP1SLC11A2AKR1B1
SCHEMBL20762975 0.82 STING1 (0.62) GLASTING1TDP1SLC11A2AKR1B1
SCHEMBL20762998 0.82 STING1 (0.77) GLASTING1TDP1KDM4EDUSP3
SCHEMBL11192241 0.80 ALOX5 (0.60) GLASTING1TDP1AKR1B1ALOX5
SCHEMBL20763215 0.77 STING1 (0.73) GLASTING1TDP1AKR1B1KDM4E
SCHEMBL27465524 0.75 AKR1B1 (0.48) TDP1AKR1B1KDM4ECYP1A2MAPT
SCHEMBL9381286 0.75 STING1 (0.78) GLASTING1TDP1AKR1B1KDM4E
SCHEMBL30320123 0.74 PARP1 (0.46) GLASTING1TDP1SLC11A2AKR1B1
SCHEMBL198085 0.74 PARP1 (0.46) GLASTING1TDP1SLC11A2AKR1B1
SCHEMBL197933 0.74 AKR1B1 (0.61) TDP1AKR1B1KDM4ECYP1A2MAPT

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-9061069-B2 Use of constrained peptide mimic oligomers as vectorization agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-06-23 US disclosed
US-20120184480-A1 USE OF CONSTRAINED DIPEPTIDE AND TRIPEPTIDE MIMIC OLIGOMERS AS VECTORIZATION AGENTS UNIVERSITE DE MONTPELLIER I (FR) 2012-07-19 US disclosed
US-6333402-B1 FOR THERAPY AND DIAGNOSIS DYAX CORP. 2001-12-25 US disclosed
US-6057287-A KUNITZ DOMAIN HAVING DISULFIDE BONDS AT CYSTINE 5-55, 14-38, 30-51 POSITIONS DYAX CORP. (US) 2000-05-02 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-20120184480-A1 USE OF CONSTRAINED DIPEPTIDE AND TRIPEPTIDE MIMIC OLIGOMERS AS VECTORIZATION AGENTS DNPEP, IAPP, VIP GLA 1923/4885STING1 528/4885TDP1 2149/4885

“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.