SCHEMBL3440571

SCHEMBL3440571

CCN(C)C(C(=O)O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.35
GABRR1 P24046 2/20 0.34
SLC7A5 Q01650 2/20 0.33
TP53 P04637 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
HTR2A P28223 2/20 0.32
HRH1 P35367 2/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3440572 1.00 ADAMTS4 (0.35) ADAMTS4GABRR1SLC7A5TP53MMP2
SCHEMBL10207190 0.84 TP53 (0.38) TP53HTR2AHRH1CHRM1AKR1A1
SCHEMBL17772985 0.84 ALDH1A1 (0.38) TP53HTR2AHRH1CHRM1AKR1A1
SCHEMBL11581638 0.82 CHRM1 (0.34) ADAMTS4GABRR1SLC7A5TP53MMP2
SCHEMBL11581636 0.82 CHRM1 (0.34) ADAMTS4GABRR1SLC7A5TP53MMP2
SCHEMBL21566478 0.81 CHRM2 (0.31) CHRM1CHRM3
SCHEMBL19292871 0.79 CHRNB2 (0.31) TDP1
SCHEMBL11582618 0.79 TP53 (0.38) ADAMTS4GABRR1SLC7A5TP53MMP2
SCHEMBL11582621 0.79 TP53 (0.38) ADAMTS4GABRR1SLC7A5TP53MMP2
SCHEMBL14625507 0.79 CHRNB2 (0.31) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012004287-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS MERCK SERONO S.A. (CH) 2012-01-12 WO disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 US disclosed
US-20080234205-A1 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-20060009392-A1 Salt with physiologically tolerated acid; resistant to enzymatic degradation; oral administration ABBOTT GMBH & CO., KG. (US) 2006-01-12 US disclosed
EP-1593686-A1 Antineoplastic peptides Abbott GmbH & Co. KG (DE) 2005-11-09 EP disclosed
EP-0866800-B1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO KG (DE) 2004-09-22 EP disclosed
EP-0981358-B1 DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES BASF AG (DE) 2003-05-28 EP disclosed
EP-1021200-B1 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS BASF AG (DE) 2002-02-06 EP disclosed
EP-0981358-A1 DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES BASF AKTIENGESELLSCHAFT (DE) 2000-03-01 EP disclosed
EP-0866800-A2 ANTINEOPLASTIC PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-30 EP disclosed
WO-1998040092-A1 DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed
WO-1997022621-A2 ANTINEOPLASTIC PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 1997-06-26 WO disclosed
US-4069385-A FROM AN OLEFIN AND AN ORGANIC PEROXIDE WITH COPPER-SCHIFF BASE COMPEX AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-01-17 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 (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-20080234205-A1 Antineoplastic peptides BCL2A1, ETF1, BAK1 ADAMTS4 3582/4885GABRR1 933/4885SLC7A5 3143/4885
US-20060009392-A1 Salt with physiologically tolerated acid; resistant to enzymatic degradation; oral administration CTRB1, CTRB2, BCKDK ADAMTS4 1836/4885GABRR1 897/4885SLC7A5 820/4885

“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.