SCHEMBL4884150

SCHEMBL4884150

CCOC(=O)c1oc(-c2cccc(-c3cccnc3)c2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.53
MMP13 P45452 1/20 0.53
MMP14 P50281 1/20 0.53
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
DCTPP1 Q9H773 1/20 0.45
CDC7 O00311 2/20 0.45
DBF4 Q9UBU7 2/20 0.45
KMO O15229 1/20 0.44
PAX8 Q06710 1/20 0.43
SLC2A1 P11166 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAPT P10636 3/20 0.43
CYP19A1 P11511 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL11622665 0.80 TARBP2 (0.63) KDM4EALDH1A1HPGDSMN1; SMN2CDC7
SCHEMBL3606461 0.80 VDR (0.59) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL2112745 0.76 IKBKB (0.56) KDM4EALDH1A1HPGDSMN1; SMN2KMO
SCHEMBL14019461 0.76 ALDH1A1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2KMO
SCHEMBL10949505 0.75 MMP2 (0.58) MMP2MMP13MMP14KDM4EALDH1A1
SCHEMBL26659210 0.75 ALDH1A1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL20022403 0.75 TARBP2 (0.70) MMP2MMP13MMP14KDM4EALDH1A1
SCHEMBL22658100 0.74 ESR2 (0.58) KDM4EALDH1A1HPGDKMT2ATARBP2
SCHEMBL10949486 0.74 PIM1 (0.68) MMP2MMP13MMP14KDM4EALDH1A1
SCHEMBL5735824 0.73 MKNK1 (0.59) MMP2MMP13MMP14KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
EP-1742942-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2005097784-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2005-10-20 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-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST MMP2 1873/4885MMP13 2121/4885MMP14 2780/4885

“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.