SCHEMBL3244461

SCHEMBL3244461

C=CCOC(=O)c1sc(C(C)(C)C)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.40
MAPT P10636 6/20 0.39
KDM4E B2RXH2 5/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 3/20 0.39
MAPK14 Q16539 8/20 0.39
RAF1 P04049 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL1883586 0.82 MAPT (0.56) ALDH1A1HSD17B10MAPTKDM4ENPC1
SCHEMBL9729481 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP3A4MAPT
SCHEMBL173108 0.77 RAF1 (0.56) MAPTKDM4ENPC1RAB9AMAPK14
SCHEMBL3234683 0.76 MAPK14 (0.48) MAPK14RAF1
SCHEMBL3234801 0.72 MAPK14 (0.78) MAPK14RAF1
SCHEMBL164073 0.72 IKBKB (0.46) ALDH1A1CYP3A4MAPTKMT2AMAPK14
SCHEMBL14189999 0.72 RXFP1 (0.49) ALDH1A1TSHRMAPTKDM4EKMT2A
Hydrochloric Acid SCHEMBL11017093 0.70 MAPT (0.56) ALDH1A1HSD17B10TSHRMAPTKDM4E
SCHEMBL4786272 0.69 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRCYP3A4MAPT
SCHEMBL10486967 0.67 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS RANGES GERALD 2010-06-24 US disclosed
EP-1019040-B1 ARYL UREAS FOR THE TREATMENT OF INFLAMMATORY OR IMMUNOMODULATORY DISEASES BAYER AG (US) 2004-09-29 EP disclosed
US-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION (US) 2002-08-01 US disclosed
US-6344476-B1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION 2002-02-05 US disclosed
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP disclosed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP disclosed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 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 (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-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas MAPK1, MAP3K1, MAP3K7 ALDH1A1 1139/4885HSD17B10 3186/4885TSHR 3355/4885
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS MAPK1, MAP3K1, MAP3K7 ALDH1A1 1139/4885HSD17B10 3186/4885TSHR 3355/4885

“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.