SCHEMBL7140430

SCHEMBL7140430

CCOC(=O)CC(NC(=O)CNC(=O)c1nc(NC(=N)N)sc1C(C)(C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
CSNK1D P48730 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
SLC6A9 P48067 1/20 0.36
HTT P42858 1/20 0.36
F2 P00734 2/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL7142342 0.90 ALDH1A1 (0.42) ALDH1A1LMNACSNK1DKDM4ENPSR1
SCHEMBL7141518 0.90 ITGB3 (0.47) ALDH1A1ITGB3ITGA2BMEN1KMT2A
SCHEMBL7138145 0.88 MAPT (0.41) ALDH1A1LMNACSNK1DKDM4ENPSR1
Hydrochloric Acid SCHEMBL8067753 0.84 ALDH1A1 (0.56) ALDH1A1LMNACSNK1DKDM4ENPSR1
SCHEMBL7141536 0.82 SMN1; SMN2 (0.46) ALDH1A1LMNAKDM4EITGB3ITGA2B
SCHEMBL7141143 0.80 ALDH1A1 (0.44) ALDH1A1LMNAKDM4ERAB9AMEN1
SCHEMBL7136545 0.80 ITGB3 (0.49) ALDH1A1LMNAITGB3ITGA2BMEN1
SCHEMBL7143985 0.77 ALDH1A1 (0.51) ALDH1A1LMNACSNK1DKDM4ENPSR1
SCHEMBL7140086 0.77 MEN1 (0.46) ALDH1A1LMNACSNK1DKDM4ENPSR1
SCHEMBL7143526 0.76 ITGB3 (0.47) ITGB3ITGA2BMEN1KMT2ASLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US claimed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
EP-0886649-A4 PROTEIN OCCLUSION FOR DELIVERY OF SMALL MOLECULES PANAYOTATOS NIKOS (US) 2002-11-20 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed
EP-0886649-A1 PROTEIN OCCLUSION FOR DELIVERY OF SMALL MOLECULES Panayotatos, Nikos (US) 1998-12-30 EP disclosed
EP-0882022-A1 ASPARTYL PROTEASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 1998-12-09 EP disclosed
EP-0866696-A1 TREATMENT OF THE CNS EFFECTS OF HIV WITH VX-478, ALONE OR IN COMBINATION WITH AZT OR 3TC Vertex Pharmaceuticals Incorporated (US) 1998-09-30 EP disclosed
WO-1997040028-A1 UREA DERIVATIVES AS INHIBITORS OF IMPDH ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-10-30 WO disclosed
WO-1997027180-A1 ASPARTYL PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-07-31 WO disclosed
WO-1997026275-A1 PROTEIN OCCLUSION FOR DELIVERY OF SMALL MOLECULES PANAYOTATOS NIKOS (US) 1997-07-24 WO disclosed
WO-1997020554-A1 TREATMENT OF THE CNS EFFECTS OF HIV WITH VX-478, ALONE OR IN COMBINATION WITH AZT OR 3TC VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-12 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 ALDH1A1 1400/4885LMNA 3184/4885CSNK1D 2051/4885

“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.