SCHEMBL5679692

SCHEMBL5679692

CCOC(=O)c1ccc(NC(=O)CC(C(=O)Nc2ccc(NC(=O)Nc3ccccc3C)cc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
MAPT P10636 5/20 0.57
CASR P41180 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.50
ITGB1 P05556 4/20 0.50
ITGA4 P13612 4/20 0.50
NAMPT P43490 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
CASP3 P42574 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL8365018 0.91 MAPT (0.58) RAB9ANPC1MAPTCASRSMN1; SMN2
SCHEMBL5681280 0.89 ITGB1 (0.54) RAB9ANPC1MAPTSMN1; SMN2ITGB1
SCHEMBL5865365 0.89 ITGB1 (0.54) RAB9ANPC1MAPTSMN1; SMN2ITGB1
SCHEMBL5679358 0.83 SMN1; SMN2 (0.60) RAB9ANPC1MAPTCASRSMN1; SMN2
SCHEMBL5679325 0.83 SMN1; SMN2 (0.70) RAB9ANPC1MAPTCASRSMN1; SMN2
SCHEMBL1019967 0.76 SMN1; SMN2 (0.78) RAB9ANPC1MAPTCASRSMN1; SMN2
SCHEMBL7655911 0.75 SMN1; SMN2 (0.66) RAB9ANPC1MAPTCASRSMN1; SMN2
SCHEMBL2001988 0.74 RAB9A (0.57) RAB9ANPC1MAPTCASRSMN1; SMN2
SCHEMBL4915540 0.73 NPC1 (0.76) RAB9ANPC1MAPTSMN1; SMN2NAMPT
SCHEMBL4122902 0.73 TRPV1 (0.65) RAB9ANPC1MAPTSMN1; SMN2NAMPT

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 RAB9A 2327/4885NPC1 2510/4885MAPT 1970/4885

“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.