SCHEMBL4888710

SCHEMBL4888710

COC(=O)c1nc(Cc2cccc(C)c2)oc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
THRB P10828 1/20 0.46
ACSL1 P33121 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR3C2 P08235 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
RNASEH1 O60930 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL14019442 0.88 RNASEH1 (0.52) TP53MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4884202 0.76 NPC1 (0.42) TP53MAPTSMN1; SMN2ACSL1MEN1
SCHEMBL4887366 0.74 SLC26A6 (0.46) MAPTSMN1; SMN2ACSL1KMT2ANPC1
SCHEMBL12377784 0.74 NPSR1 (0.47) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL28356660 0.73 RNASEH1 (0.41) TP53MAPTMEN1KMT2AL3MBTL1
SCHEMBL14259046 0.73 BRD4 (0.52) TP53MAPTSMN1; SMN2THRBMEN1
SCHEMBL12797648 0.73 LOXL2 (0.64) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1461721 0.73 ATM (0.47) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL17162432 0.72 NPSR1 (0.45) SMN1; SMN2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL8993120 0.72 MAPT (0.56) TP53MAPTSMN1; SMN2MEN1KMT2A

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 TP53 3026/4885MAPT 1228/4885SMN1; SMN2 4675/4885

“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.