SCHEMBL3249150

SCHEMBL3249150

COC(=O)c1sc(C(C)C)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
MAPT P10636 7/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
IKBKB O14920 1/20 0.51
RAF1 P04049 1/20 0.51
HSD17B10 Q99714 7/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 5/20 0.41
KMT2A Q03164 3/20 0.41
GLA P06280 3/20 0.41
GAA P10253 3/20 0.41
ATM Q13315 2/20 0.41
MEN1 O00255 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL3686211 0.82 RAF1 (0.51) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL2404773 0.82 RAF1 (0.51) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL10265303 0.81 RAF1 (0.50) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL31305747 0.79 RAF1 (0.49) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL166726 0.78 MAPT (0.54) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL3239031 0.78 KDM4E (0.54) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL2775989 0.77 GAA (0.53) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL24523710 0.76 KDM4E (0.53) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL10566679 0.76 KDM4E (0.60) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL102283 0.76 KDM4E (0.53) KDM4EMAPTNPC1RAB9ACASP3

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 KDM4E 2456/4885MAPT 638/4885NPC1 3093/4885
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS MAPK1, MAP3K1, MAP3K7 KDM4E 2456/4885MAPT 638/4885NPC1 3093/4885

“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.