SCHEMBL4887366

SCHEMBL4887366

CCOC(=O)c1oc(Cc2cccc(C)c2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC26A6 Q9BXS9 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HPGD P15428 2/20 0.46
ACSL1 P33121 1/20 0.45
LMNA P02545 4/20 0.43
NPC1 O15118 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.41
TARBP2 Q15633 1/20 0.40
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3822762 0.87 SMN1; SMN2 (0.49) SMN1; SMN2HPGDLMNANPC1RAB9A
SCHEMBL14019446 0.84 TARBP2 (0.46) SMN1; SMN2HPGDLMNANPC1RAB9A
SCHEMBL14019449 0.80 HDAC4 (0.42) SMN1; SMN2HPGDLMNANPC1RAB9A
SCHEMBL3823043 0.78 MAPT (0.48) SMN1; SMN2HPGDLMNANPC1L3MBTL1
SCHEMBL892478 0.78 SLC26A6 (0.53) SLC26A6SMN1; SMN2HPGDLMNANPC1
SCHEMBL14019448 0.77 SLC26A6 (0.44) SLC26A6SMN1; SMN2HPGDLMNANPC1
SCHEMBL21179351 0.75 KLKB1 (0.51)
SCHEMBL14019445 0.75 ALDH1A1 (0.47) HPGDLMNAALDH1A1MAPTCYP1A2
SCHEMBL4888710 0.74 TP53 (0.46) SMN1; SMN2HPGDACSL1LMNANPC1
SCHEMBL14019457 0.73 NPC1 (0.41) SMN1; SMN2HPGDACSL1LMNANPC1

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 SLC26A6 110/4885SMN1; SMN2 4675/4885HPGD 1690/4885

“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.