SCHEMBL7524552

SCHEMBL7524552

CC(C)(C)NC(=S)NC1=CC(=O)OC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 3/20 0.35
EPHX1 P07099 2/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
CA1 P00915 1/20 0.33

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
SCHEMBL7519794 0.82 NPC1 (0.40) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7526790 0.74 ALDH1A1 (0.40) HTTKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL7515568 0.72 GAA (0.55) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL9422781 0.72 CA1 (0.39) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7518973 0.71 CFTR (0.41) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7525086 0.71 NPC1 (0.50) HTTMEN1KMT2AALDH1A1GAA
SCHEMBL7524432 0.71 SMN1; SMN2 (0.47) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7520249 0.71 MEN1 (0.50) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11737370 0.71 KMT2A (0.39) HTTKMT2AHPGDL3MBTL1POLB
SCHEMBL11729670 0.71 NPC1 (0.32) RAB9ACA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058694-A1 Ureido and thioureido derivatives of 4-amino-2(5H)-furanones and 4-amino-2(5H)-thiophenones as antitumor agents ROCHE DIAGNOSTICS GMBH 2002-05-16 US disclosed
US-6333346-B1 AMINOFURANONEUREAS OR THIOUREAS 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS ROCHE DIAGNOSTICS GMBH (DE) 2001-12-25 US disclosed
EP-1009747-A1 UREIDO AND THIOUREIDO DERIVATIVES OF 4-AMINO-2(5H)-FURANONES AND 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS Roche Diagnostics GmbH (DE) 2000-06-21 EP disclosed
WO-1999012917-A1 UREIDO AND THIOUREIDO DERIVATIVES OF 4-AMINO-2(5H)-FURANONES AND 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS ROCHE DIAGNOSTICS GMBH (DE) 1999-03-18 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-20020058694-A1 Ureido and thioureido derivatives of 4-amino-2(5H)-furanones and 4-amino-2(5H)-thiophenones as antitumor agents UTS2R, SRD5A2, SRD5A1 HTT 3260/4885MEN1 3390/4885KMT2A 3288/4885

“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.