SCHEMBL5679358

SCHEMBL5679358

CCOC(=O)c1ccc(NC(=O)C(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
RAB9A P51151 3/20 0.60
GAA P10253 3/20 0.60
NPC1 O15118 2/20 0.60
CASR P41180 1/20 0.59
ALDH1A1 P00352 7/20 0.59
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 2/20 0.58
CRHBP P24387 2/20 0.55
CRHR2 Q13324 2/20 0.55
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55

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
SCHEMBL5681291 0.88 ALDH1A1 (0.67) SMN1; SMN2RAB9AGAANPC1ALDH1A1
SCHEMBL7655911 0.84 SMN1; SMN2 (0.66) SMN1; SMN2RAB9AGAANPC1CASR
SCHEMBL5679692 0.83 RAB9A (0.57) SMN1; SMN2RAB9AGAANPC1CASR
SCHEMBL5679325 0.82 SMN1; SMN2 (0.70) SMN1; SMN2RAB9AGAANPC1CASR
SCHEMBL7762371 0.78 MMP3 (0.61) SMN1; SMN2RAB9AGAANPC1ALDH1A1
SCHEMBL8887757 0.77 RAB9A (0.75) SMN1; SMN2RAB9AGAANPC1ALDH1A1
SCHEMBL1019967 0.77 SMN1; SMN2 (0.78) SMN1; SMN2RAB9AGAANPC1CASR
SCHEMBL9422337 0.76 SMN1; SMN2 (0.73) SMN1; SMN2RAB9AGAANPC1ALDH1A1
SCHEMBL10875758 0.76 RAB9A (0.65) SMN1; SMN2RAB9AGAANPC1CASR
SCHEMBL2001988 0.76 RAB9A (0.57) SMN1; SMN2RAB9AGAANPC1CASR

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-7064229-B2 ethyl 4-[(4-[[2-methyl-phenyl)amino]carbonyl]amino)phenyl]amino]-4-oxo-2-phenyl-butanoyl)amino]benzoate for treatment of inflammatory diseases and conditions mediated by integrins (atherosclerosis, asthma, obstructive pulmonary disease, allergies, diabetes, multiple sclerosis, and autoimmune disorders) BAYER HEALTHCARE AG (DE) 2006-06-20 US disclosed
EP-1406865-B1 SUCCINIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2006-02-08 EP disclosed
US-20040254157-A1 Succinic acid derivatives BAYER HEALTHCARE AG (DE) 2004-12-16 US disclosed
EP-1406865-A2 SUCCINIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2003004460-A2 SUCCINIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-01-16 WO disclosed
WO-2003004460-A2 SUCCINIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-01-16 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-20040254157-A1 Succinic acid derivatives SUCNR1, SDHA, SDHB SMN1; SMN2 942/4885RAB9A 2327/4885GAA 301/4885

“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.